Vibrational Spectroscopic Studies of Nitrated Polycyclic Aromatic Hydrocarbons (NPAHs): A Review (1960-2019)

Nitrated polycyclic aromatic hydrocarbons (NPAHs) are ubiquitous in the environment. They are carcinogenic and mutagenic, thus posing great health risks to human health, albeit occurring at one to two orders of magnitude lower than the parent PAHs. Because of their occurrence as mixtures with parent...

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Vydáno v:Vibrational spectroscopy Ročník 109; s. 103072
Hlavní autor: Onchoke, Kefa K.
Médium: Journal Article
Jazyk:angličtina
Vydáno: Elsevier B.V 01.07.2020
Témata:
1-5 benzene rings
DFT
infrared nitro asymmetric/symmetric modes
Nitrated PAHs
1-5 benzene rings
DFT
infrared nitro asymmetric/symmetric modes
Nitrated PAHs
ISSN:0924-2031, 1873-3697
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Abstract Nitrated polycyclic aromatic hydrocarbons (NPAHs) are ubiquitous in the environment. They are carcinogenic and mutagenic, thus posing great health risks to human health, albeit occurring at one to two orders of magnitude lower than the parent PAHs. Because of their occurrence as mixtures with parent PAHs and the existence of isomers in diverse matrices, analyses of NPAHs and identification is often challenging. Thus, distinguishing spectroscopic signatures of NPAHs in the environment (such as found in particulate matter) poses challenge within different matrices. Often, the nitro-PAH isomers may have overlapping retention times. Analyses of isomers with mass spectrometry, typically yields the same fragmentation patterns. This makes distinguishing isomers in environmental samples challenging. Vibrational spectroscopy offers great potential for distinguishing nitro-PAH isomers. This review discusses the current status of the vibrational spectroscopic information of known 1 - 5 aromatic ring NPAHs. Special attention is devoted to nitro symmetric/asymmetric stretching frequencies. The importance of interpreting vibrational modes highlights the synergy between experimental and theoretical studies. The fundamental principles of quantum chemistry is first briefly presented to highlight the synergy between experiment and theory in the subsequent review sections.
AbstractList Nitrated polycyclic aromatic hydrocarbons (NPAHs) are ubiquitous in the environment. They are carcinogenic and mutagenic, thus posing great health risks to human health, albeit occurring at one to two orders of magnitude lower than the parent PAHs. Because of their occurrence as mixtures with parent PAHs and the existence of isomers in diverse matrices, analyses of NPAHs and identification is often challenging. Thus, distinguishing spectroscopic signatures of NPAHs in the environment (such as found in particulate matter) poses challenge within different matrices. Often, the nitro-PAH isomers may have overlapping retention times. Analyses of isomers with mass spectrometry, typically yields the same fragmentation patterns. This makes distinguishing isomers in environmental samples challenging. Vibrational spectroscopy offers great potential for distinguishing nitro-PAH isomers. This review discusses the current status of the vibrational spectroscopic information of known 1 - 5 aromatic ring NPAHs. Special attention is devoted to nitro symmetric/asymmetric stretching frequencies. The importance of interpreting vibrational modes highlights the synergy between experimental and theoretical studies. The fundamental principles of quantum chemistry is first briefly presented to highlight the synergy between experiment and theory in the subsequent review sections.
ArticleNumber 103072
Author Onchoke, Kefa K.
Author_xml – sequence: 1
  givenname: Kefa K.
  orcidid: 0000-0002-5442-9975
  surname: Onchoke
  fullname: Onchoke, Kefa K.
  email: Onchokekk@sfasu.edu
  organization: Department of Chemistry & Biochemistry, Stephen F. Austin State University, Box 3006 – SFA Station, Nacogdoches, TX, 75962-13006, USA
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Cites_doi 10.1007/s00204-002-0340-z
10.3891/acta.chem.scand.37b-0833
10.1038/bjc.1974.225
10.1103/PhysRevB.60.12710
10.1016/0165-7992(91)90030-8
10.1016/j.comptc.2014.04.027
10.1139/p80-159
10.1021/je00024a040
10.1038/190232a0
10.1016/0027-5107(95)00173-5
10.1002/kin.550210906
10.1016/S0021-9673(00)85103-1
10.3891/acta.chem.scand.37b-0065
10.1021/es9706965
10.1021/ac00122a032
10.1021/jo01326a004
10.3891/acta.chem.scand.38b-0309
10.1021/cr0000729
10.1002/recl.19921110701
10.1021/ac00297a031
10.1093/chromsci/27.7.378
10.1016/S0045-6535(00)00029-1
10.1021/es990553d
10.1021/jp073974n
10.1016/j.chemosphere.2012.06.020
10.1248/cpb.32.1992
10.1017/S0305004100011919
10.1021/ja00274a045
10.1080/10406638.2013.810654
10.3891/acta.chem.scand.35b-0131
10.1021/jo00986a053
10.3891/acta.chem.scand.39b-0343
10.1248/jhs.48.30
10.1016/j.molstruc.2011.04.033
10.3891/acta.chem.scand.38b-0701
10.1055/s-1999-3537
10.1016/S1352-2310(03)00102-X
10.1021/ac00253a024
10.1080/10406630290104004
10.1080/22297928.2019.1644195
10.1002/em.2850170306
10.1016/S0045-6535(02)00667-7
10.1366/000370204774103381
10.1007/s00216-003-2449-1
10.1016/j.saa.2009.07.010
10.1093/carcin/5.7.925
10.1021/ja00771a014
10.1021/jp027482g
10.1098/rspa.1948.0056
10.1016/S1383-5718(02)00007-4
10.1016/S0022-2860(98)00935-1
10.1016/0004-6981(84)90203-8
10.1063/1.464304
10.1016/S0022-2860(03)00316-8
10.1093/chromsci/26.11.584
10.1021/jp045733a
10.1021/ac00154a001
10.1021/es00141a017
10.1021/jo01212a008
10.1016/0022-2852(78)90124-8
10.1016/j.chemosphere.2003.09.020
10.1002/recl.19871061205
10.1135/cccc19663471
10.1021/jo00039a049
10.1021/jp031163n
10.1039/jr9560000164
10.1055/s-1985-31110
10.1016/j.tetlet.2004.04.087
10.1039/jr9560003570
10.1366/0003702874447888
10.1007/s00216-002-1698-8
10.1093/carcin/13.12.2271
10.2116/analsci.19.249
10.1021/jo00073a045
10.1107/S0365110X59000652
10.3891/acta.chem.scand.39b-0837
10.1021/j100096a001
10.1021/j100010a011
10.1139/v59-045
10.2298/JSC190509045O
10.1021/jp993940i
10.1016/0584-8539(91)80210-A
10.1139/v69-262
10.1039/jr9560003581
10.1021/ac00239a028
10.1039/jr9550004477
10.1002/jhet.5570250531
10.1021/jo01155a006
10.1021/jo01265a020
10.1021/j100067a008
10.1016/0165-1218(87)90119-4
10.1016/0048-9697(94)90098-1
10.1080/00304949509458464
10.1063/1.461626
10.1080/10406639008034766
10.1021/cr60314a001
10.1007/BF02498953
10.1080/15287398309530400
10.1016/j.comptc.2010.09.007
10.3891/acta.chem.scand.47-0410
10.1063/1.1700523
10.1021/tx970115p
10.1093/carcin/7.11.1819
10.1103/PhysRev.46.618
10.1248/cpb.38.3158
10.1016/S0022-2860(00)00519-6
10.1021/jm00375a012
10.1002/recl.19871060403
10.1103/PhysRevB.37.785
10.1016/j.saa.2013.05.096
10.1055/s-1989-27189
10.1021/tx00043a006
10.1016/S0378-4274(98)00106-4
10.1126/science.705341
10.1248/jhs.50.66
10.1021/es00169a015
10.1080/00304949009356339
10.1021/tx00015a007
10.1021/tx000002x
10.1016/S0165-7992(85)80031-2
10.1016/S0009-2614(97)01282-7
10.1007/BF01339530
10.1103/PhysRev.137.A1697
10.1021/jp035242a
10.1071/CH9900125
10.1021/es00134a001
10.1021/ac60160a013
10.1016/j.jhazmat.2007.11.020
10.1021/tx980079+
10.1002/cber.19270600251
10.1080/10406630490277443
10.1016/j.theochem.2008.12.009
10.1017/S0305004100016108
10.1016/0022-2860(96)09256-3
10.1016/S0045-6535(00)00516-6
10.1103/PhysRevA.38.3098
10.1016/0003-2670(95)00218-O
10.1021/es010663w
10.1002/ejoc.200300216
10.1002/(SICI)1096-987X(19990115)20:1<1::AID-JCC2>3.0.CO;2-8
10.1071/CH03263
10.1016/0165-7992(84)90047-2
10.1002/recl.19931120504
10.1021/jp021938c
10.1021/jp054881d
10.1021/jo01054a015
10.1021/es00171a009
10.1021/ac00262a027
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Keywords 1-5 benzene rings
DFT
infrared nitro asymmetric/symmetric modes
Nitrated PAHs
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References Onchoke, Parks, Nolan (bib0555) 2009; 74
Kohara, Suzuki, Honma, Oomori, Ohwada, Hayashi (bib0840) 2002; 515
Sugiyama, Watanabe, Murahashi, Hirayama (bib0845) 2004; 50
Jung, Shaikh, Heflich, Fu (bib0020) 1991; 17
Hehre, Radom, Schheyes, Pople (bib0085) 1986
Cho (bib0230) 1995; 27
Hansen, Berg (bib0515) 1981; 35
Stout, Mamantov (bib0445) 1989; Vol. 101
Librando, Alparone (bib0430) 2008; 154
Boyd, Sheng, Teppen, Johnston (bib0260) 2001; 35
Arey, Zielinska, Atkinson, Winer (bib0770) 1987; 21
Perjessy, Rasala, Gawinecki, Boykin (bib0895) 1996; 382
MacCrehan, May, Yang, Benner (bib0575) 1988; 60
Johansen, Sydes, Greibrokk (bib0650) 1984; B38
Hanson, Henderson, Hobbs, Clark, Carpenter, Dutcher (bib0820) 1983; 11
Fukuhara, Miyata, Matsui, Matsui, Motoi, Kamiya (bib0640) 1990; 38
Moran, Emmett (bib0715) 1990; 22
Hehre, Radom, Pople, Schleyer (bib0105) 1986
Greenberg, Wang, Darack, Harkov, Louis, Atherholt (bib0510) 1999; 1
Zhou, Cho (bib0215) 1998; 11
Banisaukas, Szczepanski, Vala, Hirata (bib0330) 2004; 108
Iwanari, Nakajima, Kizu, Hayakawa, Yokoi (bib0810) 2002; 76
Alparone, Librando (bib0505) 2013; 90
Iihama, Fu, Bourguignon, Snieckus (bib0705) 1989
Takemura, Hashida, Terasawa (bib0725) 1974; 30
Nielsen (bib0595) 1983; 55
van den Braken-van Leersum, van’t Zelfde, Cornelisse, Lugtenburg (bib0520) 1987; 106
Juchnovski, Andreev (bib0370) 1983; 16
El-Bayoumy, Desai, Upadhyaya, Amin, Hecht (bib0570) 1992; 13
Foresman, Aeleen (bib0050) 1996
Fu, Von Tungeln, Xia, Zhan, Heflich (bib0620) 2002; 22
Ohno (bib0075) 1991; 95
Dewar, Mole, Urch, Warford (bib0185) 1956
Judd, Hartshorn, Martyn, Robinson, Wright, Vannoort (bib0480) 1990; 43
Brorstrom-Lunden, Lindskog (bib0580) 1985; 19
Matsuzawa, Garrigues, Budzinski, Bellocq, Shimizu (bib0565) 1995; 312
Fuente, Menendez, Diez, Suarez, Montes-Moran (bib0335) 2003; 107
Iversen, Sydnes, Greibrokk (bib0600) 1985; B39
Urbanowicz, Kupka, Wrzalik, Pasterny (bib0395) 1999; 482–483
Ishii, Hisamatsu, Inazu, Aika (bib0535) 2001; 44
Becke (bib0305) 1983; 98
Fukuhara, Takei, Kageyama, Miyata (bib0825) 1995; 8
Bavin, Dewar (bib0190) 1955
Warner, Lau, Farant, Butler (bib0630) 2002; 48
Trotter (bib0455) 1959; 37
Ostojić, Đorđević (bib0800) 2019; 84
Newman, Cathcart (bib0860) 1940; 5
Cho, Kim, Harvey (bib0805) 1993; 58
Klemm, Hall, Sur (bib0550) 1988; 25
Newman, Kosak (bib0625) 1949; 14
Yoshida, Nagayama, Minabe, Suzuki (bib0760) 1979; 44
Bodine, Ruehle, Roth, Bosch, Bosch, Opperman, Saugier (bib0675) 1983
Ruehle, Bosch, Duncan (bib0225) 1985
Pristera, Halik, Castelli, Fredericks (bib0385) 1960; 31
Smith (bib0425) 1977
Banik, Venkatraman, Banik, Basu (bib0865) 2004; 45
Trotter (bib0440) 1959; 12
Onchoke, Ojeda, Janusa (bib0780) 2019; 9
Onchoke, Hadad, Dutta (bib0350) 2006; 110
Robbat, Corso, Doherty, Wolf (bib0690) 1986; 58
de Raat, Boers, Bakker, de Meijere, Hooimeijer, Lohman, Mohn (bib0665) 1994; 153
Becke (bib0155) 1993; 98
Arey, Zilinska, Atkinson, Winer (bib0775) 1988; 22
Bamford, Bezabeh, Schantz, Wise, Baker (bib0410) 2003; 50
Bavin, Dewar (bib0470) 1953
Lin, George, Gill (bib0130) 2004; 57
Cramer (bib0090) 2002
Streitwieser, Fahey (bib0355) 1962; 27
Ohno (bib0080) 1978; 72
Schuetzie, Riley, Prater (bib0695) 1982; 54
Dugarova, Kazakova, Chibisova, Traven (bib0685) 1986; 141
Onchoke, Ojeda (bib0035) 2013; 33
Hudgins, Sandford, Allamandola (bib0325) 1994; 98
H.Jamróz (bib0380) 2013; 114
Warner, Farrant, Butler (bib0460) 2004; 54
Sekine, Uekusa, Ohashi, Yoshimura, Yagi, Higuchi (bib0495) 2001; C57
Dewar, Warford (bib0180) 1956
Pitts, Sweetman, Zielinska, Atkinson, Winer, Harger (bib0250) 1985; 19
Andersson, Uvdal (bib0340) 2005; 109
Vosko, Wilk, Nusair (bib0135) 1980; 58
Dirac (bib0140) 1930; 26
Kohn (bib0125) 1999; 20
Miller, Herreno-Saenz, Huang, Heinze, Fu (bib0645) 1992; 57
Clarkson, Smith (bib0400) 2003; 655
Bezabeh, Bamford, Schantz, Wise (bib0435) 2003; 375
Charlesworth, Lithown (bib0850) 1968; 47
Hartree (bib0170) 1928; 24
Warner (bib0240) 2002
Stout, Mamantov (bib0275) 1987; 41
Kalasinsky, Saiwan, Whitehead (bib0280) 1988; 26
Nordbotten, Sydnes, Greibrokk (bib0885) 1984; B37
Becke (bib0150) 1988; 38
Horikawa, Sera, Murakami, Sano, Izumi, Hiroshi (bib0875) 1998; 98
Fu, Chou, Miller, White, Heflich, Beland (bib0010) 1985; 143
Birks (bib0005) 1961; 190
Stephens, Devlin, Cabalowski, Frisch (bib0160) 1994; 98
Juchnoviski, Andreev (bib0365) 1976; 29
Sera, Kai, Horikawa, Fukuhara, Miyata, Tokiwa (bib0870) 1991; 263
Onchoke (bib0040) 2011; 963
Li, Fu, Church (bib0450) 2000; 550-551
Jager (bib0255) 1978; 152
Shorgin, Lopatina, Lopatin, Golodilova (bib0710) 1998; 47
Hückel (bib0055) 1931; 70
Looker (bib0680) 1972; 37
Coulson, Longuet-Higgins (bib0060) 1948; 193
Pitts, Zielinska, Harger (bib0655) 1984; 140
Adamson, Gill, Pople (bib0165) 1998; 284
Cantrell, Shecter (bib0735) 1968; 33
Purohit, Basu (bib0235) 2000; 13
Ishii, Hisamatsu, Inazu, Kobayashi, Aika (bib0270) 2000; 41
Passingham, Hendra, Hodges, Willis (bib0390) 1991; 47A
Chawla, Mittal (bib0490) 1983; 22B
K. K. Onchoke and P. K. Dutta, Unpublished data (2004).
Enlow, Buncick, Warmack, Vo-Dinh (bib0285) 1986; 58
Lester, Citra (bib0300) 2002; 102
Onchoke (bib0045) 2014; 1042
Fu, Tungeln, Chiu, Zhan, Deck, Bucci, Wang (bib0615) 1998; 11
Hudgins, Allamandola (bib0320) 1995; 99
Ishii, Hisamatsu, Inazu, Kadoi, Aika (bib0530) 2000; 34
Arey, Zielinska, Atkinson, Aschmann (bib0720) 1989; 21
Onchoke, Parks (bib0795) 2011; 999
Chawla, Mittal (bib0485) 1985; 70
Taylor, Thompson (bib0500) 2001; E57
Fu, Heflich, Tungeln, Yang, Fifer, Beland (bib0015) 1986; 7
Bamford, Baker (bib0660) 2003; 37
Michl, Bocek, Zahradnik (bib0730) 1966; 31
Chiu (bib0420) 2002
Johansen, Doehl, Greibrokk (bib0605) 1989; 27
Yoshida, Hirota, Minabe, Suzuki (bib0765) 1981; 26
Eberson, Hartshorn, Radner, Robinson (bib0900) 1993; 47
Jamroz (bib0375) 2004
Warshel, Karplus (bib0095) 1972; 94
Goldring, Ball, Sangaiah, Gold (bib0745) 1987; 187
Pitts, van Cauwenberghe, Grosjean, Schimid, Fitz, Belser, Knudson, Hynds (bib0245) 1978; 202
Parr, Yang (bib0120) 1989
Dewar, Mole, Warford (bib0200) 1956
Carrasco, Campos-Vallette, Leyton, Diaz, Clavijo, Garcia-Ramos, Inostroza, Domingo, Sanchez-Cortes, Koch (bib0290) 2003; 107
Tang, Toriba, Kizu, Hayakawa (bib0585) 2003; 19
Ramdahl (bib0755) 1985; 8
Torben, Bernhard, Ramdahl (bib0590) 1984; 18
Jensen (bib0100) 1998
Merrick, Moran, Radom (bib0345) 2007; 111
Tang, Tabata, Mishukov, Sergineko, Toriba, Kizu, Hayakawa (bib0700) 2002; 48
Mapelli, Castiglioni, Zerbi, Mullen (bib0070) 1999; 60
Fu, Harvey (bib0210) 1978; 78
Eberson, Radner (bib0545) 1985; B39
van Haeringen, Aten, Cornelisse, Lugtenburg (bib0785) 1992; 111
Onchoke, Hadad, Dutta (bib0025) 2004; 24
Klein, Boche (bib0265) 1999; 7
Hashimoto, Shudo (bib0525) 1984; 32
Coulson, O’Leary, Mallion (bib0065) 1978
Carrasco-Flores, Clavijo, Campos-Vallette, Aroca (bib0295) 2004; 58
Levinskii, Khitrovo, Krivosheeva (bib0815) 2001; 56
Zinke, Funke, Lorber (bib0880) 1927; 60B
Schauer, Niessner, Poschl (bib0415) 2004; 378
Fukui, Yonezawa, Shingu (bib0205) 1952; 20
Moller, Plesset (bib0175) 1934; 46
Squadrito, Shane, Fronczek, Church, Pryor (bib0790) 1990; 3
Mattioda, Hudgins, Bauschlicher, Rosi, Allamandola (bib0310) 2003; 107
Onchoke, Mol (bib0030) 2009; 899
Hudgins, Bauschlicher, Allamandola, Fetzer (bib0315) 2000; 104
Paputa-Peck, Marano, Schuetzle, Riley, Hampton, Prater, Skewes, Jensen, Ruehle, Bosch, Duncan (bib0560) 1983; 55
Lee, Yang, Parr (bib0145) 1988; 37
Löfroth, Toftgård, Nilsson, Agurell, J.-Å (bib0890) 1984; 5
Kohn, Sham (bib0115) 1965; 137
Chou, Heflich, Casciano, Miller, Freeman, Evans, Fu (bib0220) 1984; 27
Svendsen, Ronningsen, Sydnes, Greibrokk (bib0475) 1983; 37
Mulder, Boerrigter, Boere, Zuihof, Erkelens, Cornelisse, Lugtenburg (bib0740) 1993; 112
Radner, Chem (bib0540) 1983
Koch, Holthausen (bib0110) 2000
Gordon, Trivedi, Singh (bib0405) 1988; 22
Bavin, Dewar (bib0195) 1956
Sera, Fukuhara, Miyata, Tokiwa (bib0830) 1996; 349
Dyker, Kadzimirsz, Thorne (bib0635) 2003; 2003
van den Braken-van Leersum, Spijker, Lugtenburg, Cornelisse (bib0750) 1987; 106
Tokiwa, Otofuji, Nakagawa, Horikawa, Maeda, Sano, Izumi, O. H (bib0835) 1986; 13
Andreev, Juchnovski (bib0360) 1980; XIII
Ristagano, Shine (bib0670) 1971; 93
Zielinska, Arey, Atkinson, Ramdahl, Winer, Pitts (bib0855) 1986; 108
Durant, Lafleur, Plummer, Taghizadeh, Busy, Thilly (bib0610) 1998; 32
Johansen (10.1016/j.vibspec.2020.103072_bib0650) 1984; B38
Hehre (10.1016/j.vibspec.2020.103072_bib0085) 1986
Fu (10.1016/j.vibspec.2020.103072_bib0210) 1978; 78
Levinskii (10.1016/j.vibspec.2020.103072_bib0815) 2001; 56
Klein (10.1016/j.vibspec.2020.103072_bib0265) 1999; 7
Brorstrom-Lunden (10.1016/j.vibspec.2020.103072_bib0580) 1985; 19
Ishii (10.1016/j.vibspec.2020.103072_bib0270) 2000; 41
Taylor (10.1016/j.vibspec.2020.103072_bib0500) 2001; E57
Lester (10.1016/j.vibspec.2020.103072_bib0300) 2002; 102
Nordbotten (10.1016/j.vibspec.2020.103072_bib0885) 1984; B37
Sera (10.1016/j.vibspec.2020.103072_bib0830) 1996; 349
Hückel (10.1016/j.vibspec.2020.103072_bib0055) 1931; 70
Hudgins (10.1016/j.vibspec.2020.103072_bib0315) 2000; 104
Yoshida (10.1016/j.vibspec.2020.103072_bib0765) 1981; 26
Ishii (10.1016/j.vibspec.2020.103072_bib0535) 2001; 44
Bezabeh (10.1016/j.vibspec.2020.103072_bib0435) 2003; 375
MacCrehan (10.1016/j.vibspec.2020.103072_bib0575) 1988; 60
Goldring (10.1016/j.vibspec.2020.103072_bib0745) 1987; 187
Banik (10.1016/j.vibspec.2020.103072_bib0865) 2004; 45
Fu (10.1016/j.vibspec.2020.103072_bib0010) 1985; 143
Hanson (10.1016/j.vibspec.2020.103072_bib0820) 1983; 11
Fukuhara (10.1016/j.vibspec.2020.103072_bib0825) 1995; 8
Horikawa (10.1016/j.vibspec.2020.103072_bib0875) 1998; 98
Pitts (10.1016/j.vibspec.2020.103072_bib0245) 1978; 202
Matsuzawa (10.1016/j.vibspec.2020.103072_bib0565) 1995; 312
Iihama (10.1016/j.vibspec.2020.103072_bib0705) 1989
Hudgins (10.1016/j.vibspec.2020.103072_bib0325) 1994; 98
van den Braken-van Leersum (10.1016/j.vibspec.2020.103072_bib0520) 1987; 106
Onchoke (10.1016/j.vibspec.2020.103072_bib0045) 2014; 1042
Onchoke (10.1016/j.vibspec.2020.103072_bib0035) 2013; 33
Ramdahl (10.1016/j.vibspec.2020.103072_bib0755) 1985; 8
Cantrell (10.1016/j.vibspec.2020.103072_bib0735) 1968; 33
Becke (10.1016/j.vibspec.2020.103072_bib0155) 1993; 98
Judd (10.1016/j.vibspec.2020.103072_bib0480) 1990; 43
Johansen (10.1016/j.vibspec.2020.103072_bib0605) 1989; 27
Onchoke (10.1016/j.vibspec.2020.103072_bib0025) 2004; 24
Sera (10.1016/j.vibspec.2020.103072_bib0870) 1991; 263
Chawla (10.1016/j.vibspec.2020.103072_bib0490) 1983; 22B
Hashimoto (10.1016/j.vibspec.2020.103072_bib0525) 1984; 32
Onchoke (10.1016/j.vibspec.2020.103072_bib0030) 2009; 899
El-Bayoumy (10.1016/j.vibspec.2020.103072_bib0570) 1992; 13
Kohara (10.1016/j.vibspec.2020.103072_bib0840) 2002; 515
Fukui (10.1016/j.vibspec.2020.103072_bib0205) 1952; 20
Dewar (10.1016/j.vibspec.2020.103072_bib0180) 1956
Coulson (10.1016/j.vibspec.2020.103072_bib0060) 1948; 193
Fukuhara (10.1016/j.vibspec.2020.103072_bib0640) 1990; 38
Smith (10.1016/j.vibspec.2020.103072_bib0425) 1977
Onchoke (10.1016/j.vibspec.2020.103072_bib0350) 2006; 110
Hudgins (10.1016/j.vibspec.2020.103072_bib0320) 1995; 99
Moran (10.1016/j.vibspec.2020.103072_bib0715) 1990; 22
Jamroz (10.1016/j.vibspec.2020.103072_bib0375) 2004
Alparone (10.1016/j.vibspec.2020.103072_bib0505) 2013; 90
Coulson (10.1016/j.vibspec.2020.103072_bib0065) 1978
Enlow (10.1016/j.vibspec.2020.103072_bib0285) 1986; 58
Stout (10.1016/j.vibspec.2020.103072_bib0445) 1989; Vol. 101
Eberson (10.1016/j.vibspec.2020.103072_bib0545) 1985; B39
Shorgin (10.1016/j.vibspec.2020.103072_bib0710) 1998; 47
Warner (10.1016/j.vibspec.2020.103072_bib0460) 2004; 54
de Raat (10.1016/j.vibspec.2020.103072_bib0665) 1994; 153
Tokiwa (10.1016/j.vibspec.2020.103072_bib0835) 1986; 13
Birks (10.1016/j.vibspec.2020.103072_bib0005) 1961; 190
Carrasco-Flores (10.1016/j.vibspec.2020.103072_bib0295) 2004; 58
Löfroth (10.1016/j.vibspec.2020.103072_bib0890) 1984; 5
Dirac (10.1016/j.vibspec.2020.103072_bib0140) 1930; 26
Newman (10.1016/j.vibspec.2020.103072_bib0625) 1949; 14
Parr (10.1016/j.vibspec.2020.103072_bib0120) 1989
Moller (10.1016/j.vibspec.2020.103072_bib0175) 1934; 46
10.1016/j.vibspec.2020.103072_bib0465
Michl (10.1016/j.vibspec.2020.103072_bib0730) 1966; 31
Svendsen (10.1016/j.vibspec.2020.103072_bib0475) 1983; 37
Chawla (10.1016/j.vibspec.2020.103072_bib0485) 1985; 70
Pitts (10.1016/j.vibspec.2020.103072_bib0250) 1985; 19
Tang (10.1016/j.vibspec.2020.103072_bib0700) 2002; 48
Jensen (10.1016/j.vibspec.2020.103072_bib0100) 1998
Stout (10.1016/j.vibspec.2020.103072_bib0275) 1987; 41
Onchoke (10.1016/j.vibspec.2020.103072_bib0780) 2019; 9
Mulder (10.1016/j.vibspec.2020.103072_bib0740) 1993; 112
Purohit (10.1016/j.vibspec.2020.103072_bib0235) 2000; 13
Dugarova (10.1016/j.vibspec.2020.103072_bib0685) 1986; 141
Kalasinsky (10.1016/j.vibspec.2020.103072_bib0280) 1988; 26
Tang (10.1016/j.vibspec.2020.103072_bib0585) 2003; 19
Zhou (10.1016/j.vibspec.2020.103072_bib0215) 1998; 11
Li (10.1016/j.vibspec.2020.103072_bib0450) 2000; 550-551
Durant (10.1016/j.vibspec.2020.103072_bib0610) 1998; 32
Bavin (10.1016/j.vibspec.2020.103072_bib0470) 1953
Clarkson (10.1016/j.vibspec.2020.103072_bib0400) 2003; 655
Pristera (10.1016/j.vibspec.2020.103072_bib0385) 1960; 31
Yoshida (10.1016/j.vibspec.2020.103072_bib0760) 1979; 44
Greenberg (10.1016/j.vibspec.2020.103072_bib0510) 1999; 1
Trotter (10.1016/j.vibspec.2020.103072_bib0440) 1959; 12
Onchoke (10.1016/j.vibspec.2020.103072_bib0555) 2009; 74
Cho (10.1016/j.vibspec.2020.103072_bib0805) 1993; 58
H.Jamróz (10.1016/j.vibspec.2020.103072_bib0380) 2013; 114
Ostojić (10.1016/j.vibspec.2020.103072_bib0800) 2019; 84
Ristagano (10.1016/j.vibspec.2020.103072_bib0670) 1971; 93
Torben (10.1016/j.vibspec.2020.103072_bib0590) 1984; 18
Passingham (10.1016/j.vibspec.2020.103072_bib0390) 1991; 47A
Bavin (10.1016/j.vibspec.2020.103072_bib0190) 1955
Eberson (10.1016/j.vibspec.2020.103072_bib0900) 1993; 47
Chiu (10.1016/j.vibspec.2020.103072_bib0420) 2002
Onchoke (10.1016/j.vibspec.2020.103072_bib0040) 2011; 963
Fu (10.1016/j.vibspec.2020.103072_bib0015) 1986; 7
Warner (10.1016/j.vibspec.2020.103072_bib0240) 2002
Dewar (10.1016/j.vibspec.2020.103072_bib0185) 1956
Dewar (10.1016/j.vibspec.2020.103072_bib0200) 1956
Onchoke (10.1016/j.vibspec.2020.103072_bib0795) 2011; 999
Juchnovski (10.1016/j.vibspec.2020.103072_bib0370) 1983; 16
Fuente (10.1016/j.vibspec.2020.103072_bib0335) 2003; 107
Jager (10.1016/j.vibspec.2020.103072_bib0255) 1978; 152
Schuetzie (10.1016/j.vibspec.2020.103072_bib0695) 1982; 54
Cramer (10.1016/j.vibspec.2020.103072_bib0090) 2002
Stephens (10.1016/j.vibspec.2020.103072_bib0160) 1994; 98
Hartree (10.1016/j.vibspec.2020.103072_bib0170) 1928; 24
Zinke (10.1016/j.vibspec.2020.103072_bib0880) 1927; 60B
Banisaukas (10.1016/j.vibspec.2020.103072_bib0330) 2004; 108
Jung (10.1016/j.vibspec.2020.103072_bib0020) 1991; 17
Arey (10.1016/j.vibspec.2020.103072_bib0775) 1988; 22
Becke (10.1016/j.vibspec.2020.103072_bib0305) 1983; 98
Warshel (10.1016/j.vibspec.2020.103072_bib0095) 1972; 94
van den Braken-van Leersum (10.1016/j.vibspec.2020.103072_bib0750) 1987; 106
Arey (10.1016/j.vibspec.2020.103072_bib0720) 1989; 21
Ohno (10.1016/j.vibspec.2020.103072_bib0080) 1978; 72
Kohn (10.1016/j.vibspec.2020.103072_bib0125) 1999; 20
Robbat (10.1016/j.vibspec.2020.103072_bib0690) 1986; 58
Radner (10.1016/j.vibspec.2020.103072_bib0540) 1983
Klemm (10.1016/j.vibspec.2020.103072_bib0550) 1988; 25
Carrasco (10.1016/j.vibspec.2020.103072_bib0290) 2003; 107
Iversen (10.1016/j.vibspec.2020.103072_bib0600) 1985; B39
Ruehle (10.1016/j.vibspec.2020.103072_bib0225) 1985
Ohno (10.1016/j.vibspec.2020.103072_bib0075) 1991; 95
Bamford (10.1016/j.vibspec.2020.103072_bib0410) 2003; 50
Lin (10.1016/j.vibspec.2020.103072_bib0130) 2004; 57
Dyker (10.1016/j.vibspec.2020.103072_bib0635) 2003; 2003
Trotter (10.1016/j.vibspec.2020.103072_bib0455) 1959; 37
Librando (10.1016/j.vibspec.2020.103072_bib0430) 2008; 154
Zielinska (10.1016/j.vibspec.2020.103072_bib0855) 1986; 108
Foresman (10.1016/j.vibspec.2020.103072_bib0050) 1996
Gordon (10.1016/j.vibspec.2020.103072_bib0405) 1988; 22
Becke (10.1016/j.vibspec.2020.103072_bib0150) 1988; 38
Adamson (10.1016/j.vibspec.2020.103072_bib0165) 1998; 284
Bavin (10.1016/j.vibspec.2020.103072_bib0195) 1956
Nielsen (10.1016/j.vibspec.2020.103072_bib0595) 1983; 55
van Haeringen (10.1016/j.vibspec.2020.103072_bib0785) 1992; 111
Hehre (10.1016/j.vibspec.2020.103072_bib0105) 1986
Mattioda (10.1016/j.vibspec.2020.103072_bib0310) 2003; 107
Bodine (10.1016/j.vibspec.2020.103072_bib0675) 1983
Vosko (10.1016/j.vibspec.2020.103072_bib0135) 1980; 58
Streitwieser (10.1016/j.vibspec.2020.103072_bib0355) 1962; 27
Sekine (10.1016/j.vibspec.2020.103072_bib0495) 2001; C57
Miller (10.1016/j.vibspec.2020.103072_bib0645) 1992; 57
Cho (10.1016/j.vibspec.2020.103072_bib0230) 1995; 27
Urbanowicz (10.1016/j.vibspec.2020.103072_bib0395) 1999; 482–483
Andersson (10.1016/j.vibspec.2020.103072_bib0340) 2005; 109
Fu (10.1016/j.vibspec.2020.103072_bib0615) 1998; 11
Newman (10.1016/j.vibspec.2020.103072_bib0860) 1940; 5
Chou (10.1016/j.vibspec.2020.103072_bib0220) 1984; 27
Merrick (10.1016/j.vibspec.2020.103072_bib0345) 2007; 111
Hansen (10.1016/j.vibspec.2020.103072_bib0515) 1981; 35
Fu (10.1016/j.vibspec.2020.103072_bib0620) 2002; 22
Sugiyama (10.1016/j.vibspec.2020.103072_bib0845) 2004; 50
Warner (10.1016/j.vibspec.2020.103072_bib0630) 2002; 48
Charlesworth (10.1016/j.vibspec.2020.103072_bib0850) 1968; 47
Kohn (10.1016/j.vibspec.2020.103072_bib0115) 1965; 137
Lee (10.1016/j.vibspec.2020.103072_bib0145) 1988; 37
Andreev (10.1016/j.vibspec.2020.103072_bib0360) 1980; XIII
Mapelli (10.1016/j.vibspec.2020.103072_bib0070) 1999; 60
Koch (10.1016/j.vibspec.2020.103072_bib0110) 2000
Pitts (10.1016/j.vibspec.2020.103072_bib0655) 1984; 140
Perjessy (10.1016/j.vibspec.2020.103072_bib0895) 1996; 382
Juchnoviski (10.1016/j.vibspec.2020.103072_bib0365) 1976; 29
Ishii (10.1016/j.vibspec.2020.103072_bib0530) 2000; 34
Bamford (10.1016/j.vibspec.2020.103072_bib0660) 2003; 37
Arey (10.1016/j.vibspec.2020.103072_bib0770) 1987; 21
Boyd (10.1016/j.vibspec.2020.103072_bib0260) 2001; 35
Takemura (10.1016/j.vibspec.2020.103072_bib0725) 1974; 30
Iwanari (10.1016/j.vibspec.2020.103072_bib0810) 2002; 76
Schauer (10.1016/j.vibspec.2020.103072_bib0415) 2004; 378
Paputa-Peck (10.1016/j.vibspec.2020.103072_bib0560) 1983; 55
Looker (10.1016/j.vibspec.2020.103072_bib0680) 1972; 37
Squadrito (10.1016/j.vibspec.2020.103072_bib0790) 1990; 3
References_xml – volume: 482–483
  start-page: 409
  year: 1999
  end-page: 414
  ident: bib0395
  publication-title: J. Mol. Struct.
– start-page: 65
  year: 1983
  end-page: 67
  ident: bib0540
  publication-title: Scand. B37
– volume: 20
  start-page: 1
  year: 1999
  ident: bib0125
  publication-title: J. Comput. Chem.
– year: 2000
  ident: bib0110
  article-title: A Chemist’s Guide to Density Functional Theory
– volume: 14
  start-page: 375
  year: 1949
  end-page: 378
  ident: bib0625
  publication-title: J. Org. Chem.
– volume: 99
  start-page: 3033
  year: 1995
  end-page: 3046
  ident: bib0320
  publication-title: J. Phys. Chem.
– volume: 38
  start-page: 3158
  year: 1990
  end-page: 3161
  ident: bib0640
  publication-title: Chem. Pharm. Bull.
– volume: 8
  start-page: 308
  year: 1985
  ident: bib0755
  publication-title: JHRC& CC
– volume: 95
  start-page: 5524
  year: 1991
  end-page: 5538
  ident: bib0075
  publication-title: J. Chem. Phys.
– volume: 93
  start-page: 1811
  year: 1971
  end-page: 1812
  ident: bib0670
  publication-title: J. Org. Chem.
– volume: 41
  start-page: 1809
  year: 2000
  end-page: 1819
  ident: bib0270
  publication-title: Chemosphere
– volume: 33
  start-page: 114
  year: 1968
  end-page: 118
  ident: bib0735
  publication-title: J. Org. Chem.
– volume: 104
  start-page: 3655
  year: 2000
  end-page: 3669
  ident: bib0315
  publication-title: J. Phys. Chem. A
– volume: 137
  start-page: 1697
  year: 1965
  end-page: 16705
  ident: bib0115
  publication-title: Phys. Rev. A
– volume: 102
  start-page: 885
  year: 2002
  end-page: 912
  ident: bib0300
  publication-title: Chem. Rev.
– volume: 999
  start-page: 22
  year: 2011
  end-page: 28
  ident: bib0795
  publication-title: J. Mol. Struct.
– volume: 11
  start-page: 971
  year: 1983
  end-page: 980
  ident: bib0820
  publication-title: J. Toxicol. Environ. Health
– volume: 8
  start-page: 47
  year: 1995
  end-page: 54
  ident: bib0825
  publication-title: Chem. Res. Toxicol.
– volume: 30
  start-page: 481
  year: 1974
  end-page: 483
  ident: bib0725
  publication-title: Br. J. Cancer
– volume: 50
  start-page: 66
  year: 2004
  end-page: 74
  ident: bib0845
  publication-title: J. Health. Sci.
– volume: 7
  start-page: 1819
  year: 1986
  end-page: 1827
  ident: bib0015
  publication-title: Carcinogenesis
– volume: 44
  start-page: 1915
  year: 1979
  end-page: 1917
  ident: bib0760
  publication-title: J. Org. Chem.
– volume: 35
  start-page: 4227
  year: 2001
  end-page: 4234
  ident: bib0260
  publication-title: Environ. Sci. Tech.
– volume: 45
  start-page: 4737
  year: 2004
  end-page: 4739
  ident: bib0865
  publication-title: Tetrahedron Lett.
– volume: C57
  start-page: 1462
  year: 2001
  end-page: 1464
  ident: bib0495
  publication-title: Acta Crystal.
– volume: 74
  start-page: 579
  year: 2009
  end-page: 587
  ident: bib0555
  publication-title: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
– volume: 37
  start-page: 833
  year: 1983
  end-page: 844
  ident: bib0475
  publication-title: Acta Chem. Scand. B
– volume: 55
  start-page: 1946
  year: 1983
  end-page: 1954
  ident: bib0560
  publication-title: Anal. Chem.
– volume: 11
  start-page: 35
  year: 1998
  end-page: 48
  ident: bib0215
  publication-title: Chem. Res. Toxicol.
– volume: 111
  start-page: 335
  year: 1992
  end-page: 344
  ident: bib0785
  publication-title: Recl. Trav. Chim. Pays-Bas
– volume: 107
  start-page: 1486
  year: 2003
  end-page: 1498
  ident: bib0310
  publication-title: J. Phys. Chem. A
– volume: 19
  start-page: 249
  year: 2003
  end-page: 253
  ident: bib0585
  publication-title: Analytical Sciences
– volume: 58
  start-page: 2078
  year: 1986
  end-page: 2084
  ident: bib0690
  publication-title: Anal. Chem.
– volume: 3
  start-page: 231
  year: 1990
  end-page: 235
  ident: bib0790
  publication-title: Chem. Res. Toxicol.
– year: 1986
  ident: bib0105
  article-title: Ab Initio Molecular Orbital Theory
– volume: 1
  start-page: 233
  year: 1999
  end-page: 250
  ident: bib0510
  publication-title: Polycyclic Aromat. Compd.
– volume: 21
  start-page: 775
  year: 1989
  end-page: 799
  ident: bib0720
  publication-title: Int. J. Chem. Kinet.
– volume: 98
  start-page: 5643
  year: 1983
  end-page: 5652
  ident: bib0305
  publication-title: J. Chem. Phys.
– volume: B37
  start-page: 701
  year: 1984
  end-page: 706
  ident: bib0885
  publication-title: Acta Chem. Scand.
– volume: 263
  start-page: 27
  year: 1991
  end-page: 32
  ident: bib0870
  publication-title: Mutat. Res.
– volume: 12
  start-page: 237
  year: 1959
  end-page: 242
  ident: bib0440
  publication-title: Acta Crystal.
– volume: 90
  start-page: 158
  year: 2013
  end-page: 163
  ident: bib0505
  publication-title: Chemosphere
– volume: 107
  start-page: 5350
  year: 2003
  end-page: 6359
  ident: bib0335
  publication-title: J. Phys. Chem. B
– volume: B38
  start-page: 309
  year: 1984
  end-page: 318
  ident: bib0650
  publication-title: Acta Chem. Scand.
– volume: 202
  start-page: 515
  year: 1978
  end-page: 519
  ident: bib0245
  publication-title: Science
– volume: 54
  start-page: 265
  year: 1982
  end-page: 271
  ident: bib0695
  publication-title: Anal. Chem.
– volume: 48
  start-page: 30
  year: 2002
  end-page: 36
  ident: bib0700
  publication-title: J. Health. Sciences
– start-page: 135
  year: 1983
  end-page: 145
  ident: bib0675
  publication-title: Polynucl. Aromat. Hydrocarbons: Formation, Metabolism, and Measurement. Int. Symp., 7th
– volume: XIII
  start-page: 167
  year: 1980
  end-page: 177
  ident: bib0360
  publication-title: Bulg.Acad. of Sci.
– volume: 154
  start-page: 1158
  year: 2008
  end-page: 1165
  ident: bib0430
  publication-title: J. Hazardous Materials
– volume: 550-551
  start-page: 217
  year: 2000
  end-page: 223
  ident: bib0450
  publication-title: J. Mol. Struct.
– year: 1978
  ident: bib0065
  article-title: Hückel theory for organic chemists
– volume: 58
  start-page: 1200
  year: 1980
  end-page: 1211
  ident: bib0135
  publication-title: Can. J. Phys.
– year: 2002
  ident: bib0090
  article-title: Essentials of Computational Chemistry: Theories and Models
– volume: 37
  start-page: 351
  year: 1959
  end-page: 357
  ident: bib0455
  publication-title: Can. J. Chem.
– start-page: 164
  year: 1956
  end-page: 169
  ident: bib0195
  publication-title: J. Chem. Soc.
– volume: 27
  start-page: 243
  year: 1995
  end-page: 272
  ident: bib0230
  publication-title: Org. Prep. Proced. Inte.
– volume: 33
  start-page: 473
  year: 2013
  end-page: 500
  ident: bib0035
  publication-title: Polycyclic Aromatic Compounds
– volume: 22
  year: 1988
  ident: bib0775
  publication-title: Environ. Sci. Technol.
– year: 1998
  ident: bib0100
  article-title: Introduction to Computational Chemistry
– volume: 19
  start-page: 1115
  year: 1985
  end-page: 1121
  ident: bib0250
  publication-title: Environ. Sci. Technol.
– volume: 19
  start-page: 313
  year: 1985
  end-page: 316
  ident: bib0580
  publication-title: Environ. Sci. Technol.
– year: 1986
  ident: bib0085
  article-title: Ab Initio Molecular Orbital Theory
– year: 1996
  ident: bib0050
  article-title: Exploring Chemistry with Electronic Structure Methods
– volume: 94
  start-page: 5612
  year: 1972
  end-page: 5625
  ident: bib0095
  publication-title: J. Am. Chem. Soc.
– volume: 26
  start-page: 584
  year: 1988
  end-page: 587
  ident: bib0280
  publication-title: J. Chromatogr. Sci.
– volume: 13
  start-page: 253
  year: 1986
  end-page: 270
  ident: bib0835
  publication-title: Developments in toxicology and environmental science
– volume: 312
  start-page: 165
  year: 1995
  end-page: 177
  ident: bib0565
  publication-title: Anal. Chim. Acta
– volume: 58
  start-page: 555
  year: 2004
  end-page: 561
  ident: bib0295
  publication-title: Appl. Spectrosc.
– volume: 32
  start-page: 1992
  year: 1984
  end-page: 1994
  ident: bib0525
  publication-title: Chem. Pharm. Bull.
– volume: 58
  start-page: 5788
  year: 1993
  end-page: 5796
  ident: bib0805
  publication-title: J. Org. Chem.
– volume: 98
  start-page: 51
  year: 1998
  end-page: 58
  ident: bib0875
  publication-title: Toxicol. Lett.
– volume: 57
  start-page: 365
  year: 2004
  end-page: 370
  ident: bib0130
  publication-title: Aust. J. Chem.
– volume: B39
  start-page: 343
  year: 1985
  end-page: 356
  ident: bib0545
  publication-title: Acta Chem. Scand.
– volume: 32
  start-page: 1894
  year: 1998
  end-page: 1906
  ident: bib0610
  publication-title: Environ. Sci. Technol.
– volume: 106
  start-page: 628
  year: 1987
  end-page: 640
  ident: bib0750
  publication-title: Recl. Trav. Chim. Pays-Bas
– volume: 54
  start-page: 1207
  year: 2004
  end-page: 1215
  ident: bib0460
  publication-title: Chemosphere
– volume: 27
  start-page: 378
  year: 1989
  end-page: 382
  ident: bib0605
  publication-title: J. Chrom. Sci
– start-page: 3572
  year: 1956
  end-page: 3575
  ident: bib0185
  publication-title: J. Chem. Soc. (London)
– volume: 84
  start-page: 861
  year: 2019
  end-page: 876
  ident: bib0800
  publication-title: J. Serb. Chem. Soc.
– volume: 47
  start-page: 410
  year: 1993
  end-page: 415
  ident: bib0900
  publication-title: Acta Chemica Scandinavica Acta Chem. Scand.
– volume: 29
  start-page: 1637
  year: 1976
  end-page: 1640
  ident: bib0365
  publication-title: L’Acad. Bulg. Sci.
– volume: 37
  start-page: 2077
  year: 2003
  end-page: 2091
  ident: bib0660
  publication-title: Atmosph. Environ.
– volume: 515
  start-page: 73
  year: 2002
  end-page: 83
  ident: bib0840
  publication-title: Mutat. Res.
– volume: 26
  start-page: 376
  year: 1930
  end-page: 385
  ident: bib0140
  publication-title: Proc. Cambridge Phil. Soc.
– volume: 108
  start-page: 3713
  year: 2004
  end-page: 3722
  ident: bib0330
  publication-title: J. Phys. Chem. A
– volume: 16
  start-page: 389
  year: 1983
  end-page: 398
  ident: bib0370
  publication-title: Bulg. Acad. Sci.
– volume: 25
  start-page: 1427
  year: 1988
  end-page: 1429
  ident: bib0550
  publication-title: J. Heterocyclic chem.
– volume: 41
  start-page: 1048
  year: 1987
  end-page: 1052
  ident: bib0275
  publication-title: Appl. Spectrosc.
– volume: 9
  start-page: 273
  year: 2019
  end-page: 290
  ident: bib0780
  publication-title: Analytical Chemistry Letters
– volume: 47
  start-page: 297
  year: 1998
  end-page: 302
  ident: bib0710
  publication-title: Russ. Chem. Bull.
– volume: 98
  start-page: 4243
  year: 1994
  end-page: 4253
  ident: bib0325
  publication-title: J. Phys. Chem.
– volume: 34
  start-page: 1893
  year: 2000
  end-page: 1899
  ident: bib0530
  publication-title: Environ. Sci. Technol.
– volume: 963
  start-page: 40
  year: 2011
  end-page: 50
  ident: bib0040
  publication-title: Comput. Theoret. Chem
– start-page: 543
  year: 1953
  ident: bib0470
  article-title: Chemistry and Industry
– volume: 37
  start-page: 785
  year: 1988
  end-page: 789
  ident: bib0145
  publication-title: Phys. Rev. B
– volume: 141
  start-page: 115
  year: 1986
  end-page: 122
  ident: bib0685
  article-title: Trudy Instituta - Moskovskii Khimiko-Tekhnologicheskii Institut imeni D. I
  publication-title: Mendeleeva
– volume: 22
  start-page: 672
  year: 1988
  end-page: 677
  ident: bib0405
  publication-title: Environ. Sci. Technol.
– volume: 22
  start-page: 853
  year: 2002
  end-page: 859
  ident: bib0620
  publication-title: Polycyclic Aromat. Compd.
– start-page: 169
  year: 1985
  end-page: 235
  ident: bib0225
  article-title: Nitrated Polycyclic Aromatic Hydrocarbons
  publication-title: Dr. Alfred Huethig Verlag, Heidelberg
– volume: 187
  start-page: 67
  year: 1987
  end-page: 77
  ident: bib0745
  publication-title: Mutat. Res.
– volume: 76
  start-page: 287
  year: 2002
  end-page: 298
  ident: bib0810
  publication-title: Arch. Toxicol.
– volume: 47A
  start-page: 1235
  year: 1991
  end-page: 1245
  ident: bib0390
  publication-title: Spectrochim. Acta
– volume: 31
  start-page: 3471
  year: 1966
  end-page: 4377
  ident: bib0730
  publication-title: Collection Czechosllov. Chem. Commun.
– volume: 46
  start-page: 618
  year: 1934
  end-page: 622
  ident: bib0175
  publication-title: Phys. Rev.
– volume: 37
  start-page: 3379
  year: 1972
  end-page: 3381
  ident: bib0680
  publication-title: J. Org. Chem.
– volume: 140
  start-page: 81
  year: 1984
  end-page: 85
  ident: bib0655
  publication-title: Mut. Res.
– volume: 1042
  start-page: 23
  year: 2014
  end-page: 34
  ident: bib0045
  publication-title: Comput. Theoret. Chem.
– year: 2002
  ident: bib0240
  article-title: Ph.D. thesis, McGill University (Montreal, Quebec, Canada (Proquest, Ann Arbor))
– volume: 38
  start-page: 3098
  year: 1988
  end-page: 3100
  ident: bib0150
  publication-title: Phys. Rev. A
– volume: 108
  start-page: 4126
  year: 1986
  end-page: 4132
  ident: bib0855
  publication-title: J. Am. Chem. Soc.
– volume: 375
  start-page: 381
  year: 2003
  end-page: 388
  ident: bib0435
  publication-title: Anal. Bioanal. Chem.
– volume: 349
  start-page: 137
  year: 1996
  end-page: 144
  ident: bib0830
  publication-title: Mutat. Res.
– year: 2004
  ident: bib0375
  article-title: Warsaw
– volume: 107
  start-page: 9611
  year: 2003
  end-page: 9619
  ident: bib0290
  publication-title: J. Phys. Chem. A
– volume: 382
  start-page: 93
  year: 1996
  end-page: 99
  ident: bib0895
  publication-title: J. Mol. Struct.
– year: 1977
  ident: bib0425
  article-title: The Coblentz Society Desk Book of Infrared Spectra
– year: 1989
  ident: bib0120
  article-title: Density Functional Theory of Atoms and Molecules
– start-page: 83
  year: 2002
  end-page: 89
  ident: bib0420
  article-title: EnviroAnalysis 2002, Proceedings of the Biennial International Conference on Monitoring and Measurement of the Environment
  publication-title: EnviroAnalysis 2002 Conference Secretariat
– volume: 26
  start-page: 220
  year: 1981
  end-page: 223
  ident: bib0765
  publication-title: J. Chem. Eng. Data
– volume: 22B
  start-page: 753
  year: 1983
  end-page: 754
  ident: bib0490
  publication-title: Indian J. Chem.
– start-page: 4477
  year: 1955
  end-page: 4479
  ident: bib0190
  publication-title: J. Chem. Soc.
– volume: 190
  start-page: 232
  year: 1961
  end-page: 235
  ident: bib0005
  publication-title: Nature (London, United Kingdom)
– volume: 98
  start-page: 1372
  year: 1993
  end-page: 1377
  ident: bib0155
  publication-title: J. Chem. Phys.
– volume: 70
  start-page: 70
  year: 1985
  end-page: 72
  ident: bib0485
  publication-title: Synthesis
– volume: 20
  start-page: 722
  year: 1952
  end-page: 725
  ident: bib0205
  publication-title: J. Chem. Phys.
– volume: 60
  start-page: 194
  year: 1988
  end-page: 199
  ident: bib0575
  publication-title: Anal. Chem.
– volume: 57
  start-page: 3746
  year: 1992
  end-page: 3748
  ident: bib0645
  publication-title: J. Org. Chem.
– volume: 7
  start-page: 1246
  year: 1999
  end-page: 1250
  ident: bib0265
  publication-title: Synth.
– volume: 2003
  start-page: 3162
  year: 2003
  end-page: 3166
  ident: bib0635
  publication-title: Eur. J. Org. Chem.
– volume: 50
  start-page: 575
  year: 2003
  end-page: 587
  ident: bib0410
  publication-title: Chemosphere
– start-page: 184
  year: 1989
  end-page: 188
  ident: bib0705
  publication-title: Synthesis
– volume: 24
  start-page: 89
  year: 1928
  end-page: 110
  ident: bib0170
  publication-title: Proc. Cambridge Phil. Soc.
– volume: 60B
  start-page: 577
  year: 1927
  end-page: 581
  ident: bib0880
  publication-title: Ber. Dtsch. Chem. ges
– volume: 284
  start-page: 6
  year: 1998
  end-page: 11
  ident: bib0165
  publication-title: Chem. Phys. Lett.
– volume: 56
  start-page: 1098
  year: 2001
  end-page: 1104
  ident: bib0815
  publication-title: J. Anal. Chem. (Zhur. Analiticheskoi Khimii
– volume: 98
  start-page: 11623
  year: 1994
  end-page: 11627
  ident: bib0160
  publication-title: J. Phys. Chem.
– volume: 17
  start-page: 169
  year: 1991
  end-page: 180
  ident: bib0020
  publication-title: Environ. Mol. Mutagen.
– volume: 143
  start-page: 173
  year: 1985
  end-page: 181
  ident: bib0010
  publication-title: Mutat. Res.
– volume: 43
  start-page: 125
  year: 1990
  end-page: 132
  ident: bib0480
  publication-title: Aust. J. Chem.
– volume: E57
  start-page: o9
  year: 2001
  end-page: o10
  ident: bib0500
  publication-title: Acta Crystal.
– start-page: 3570
  year: 1956
  end-page: 3572
  ident: bib0180
  publication-title: J. Chem. Soc.
– volume: 27
  start-page: 1156
  year: 1984
  end-page: 1161
  ident: bib0220
  publication-title: J. Med. Chem.
– volume: 13
  start-page: 2271
  year: 1992
  end-page: 2275
  ident: bib0570
  publication-title: Carcingenesis
– volume: 114
  start-page: 220
  year: 2013
  end-page: 230
  ident: bib0380
  publication-title: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
– volume: 11
  start-page: 937
  year: 1998
  end-page: 945
  ident: bib0615
  publication-title: Chem. Res. Toxicol.
– volume: 78
  start-page: 317
  year: 1978
  end-page: 361
  ident: bib0210
  publication-title: Chem. Rev.
– volume: 27
  start-page: 2352
  year: 1962
  end-page: 2355
  ident: bib0355
  publication-title: J. Org. Chem.
– volume: 109
  start-page: 2937
  year: 2005
  end-page: 2941
  ident: bib0340
  publication-title: J. Phys. Chem A
– volume: 5
  start-page: 925
  year: 1984
  end-page: 930
  ident: bib0890
  publication-title: Carcinogenesis
– volume: 655
  start-page: 413
  year: 2003
  end-page: 422
  ident: bib0400
  publication-title: J. Mol. Struct.
– volume: 378
  start-page: 725
  year: 2004
  end-page: 737
  ident: bib0415
  publication-title: Anal. Bioanal. Chem.
– volume: 35
  start-page: 131
  year: 1981
  end-page: 137
  ident: bib0515
  publication-title: Acta Chem. Scand B
– volume: 48
  start-page: 153
  year: 2002
  end-page: 156
  ident: bib0630
  publication-title: Canadian Journal of applied spectroscopy
– volume: 152
  start-page: 575
  year: 1978
  end-page: 578
  ident: bib0255
  publication-title: J. Chromatogr.
– volume: 31
  start-page: 495
  year: 1960
  end-page: 508
  ident: bib0385
  publication-title: Anal. Chem.
– reference: K. K. Onchoke and P. K. Dutta, Unpublished data (2004).
– volume: 112
  start-page: 287
  year: 1993
  end-page: 302
  ident: bib0740
  publication-title: Recla. Trav. Chim. Pays-Bas
– volume: 55
  start-page: 286
  year: 1983
  end-page: 290
  ident: bib0595
  publication-title: Anal. Chem.
– volume: 5
  start-page: 618
  year: 1940
  end-page: 622
  ident: bib0860
  publication-title: J. Org. Chem.
– volume: 899
  start-page: 79
  year: 2009
  end-page: 85
  ident: bib0030
  publication-title: Structure (Theochem)
– volume: 111
  start-page: 11683
  year: 2007
  end-page: 11700
  ident: bib0345
  publication-title: The Journal of Physical Chemistry A
– volume: 60
  start-page: 12710
  year: 1999
  end-page: 12725
  ident: bib0070
  publication-title: Physical Review B
– volume: 106
  start-page: 120
  year: 1987
  end-page: 128
  ident: bib0520
  publication-title: Recl. Trav. Chim. Pays-Bas
– volume: Vol. 101
  start-page: 411
  year: 1989
  end-page: 432
  ident: bib0445
  publication-title: Chemical Analysis: A series of monographs on analytical chemistry and its applications
– volume: 18
  start-page: 2159
  year: 1984
  end-page: 2165
  ident: bib0590
  publication-title: Atmos. Environ.
– volume: 153
  start-page: 7
  year: 1994
  end-page: 28
  ident: bib0665
  publication-title: Sci. Total Environ.
– volume: 13
  start-page: 673
  year: 2000
  end-page: 692
  ident: bib0235
  publication-title: Chem. Res. Toxicol.
– volume: 24
  start-page: 37
  year: 2004
  end-page: 64
  ident: bib0025
  publication-title: Polycyclic Aromat. Compd.
– start-page: 3581
  year: 1956
  end-page: 3586
  ident: bib0200
  publication-title: J. Chem. Soc.
– volume: 110
  start-page: 76
  year: 2006
  end-page: 84
  ident: bib0350
  publication-title: J. Phys. Chem. A
– volume: 47
  start-page: 1595
  year: 1968
  end-page: 1599
  ident: bib0850
  publication-title: Can. J. Chem.
– volume: 70
  start-page: 204
  year: 1931
  end-page: 286
  ident: bib0055
  publication-title: Z. Physik
– volume: 44
  start-page: 681
  year: 2001
  end-page: 690
  ident: bib0535
  publication-title: Chemosphere
– volume: 22
  start-page: 639
  year: 1990
  end-page: 641
  ident: bib0715
  publication-title: Org. Prep. & Proced. International
– volume: 72
  start-page: 238
  year: 1978
  end-page: 251
  ident: bib0080
  publication-title: J. Mol. Spectrosc.
– volume: B39
  start-page: 837
  year: 1985
  end-page: 847
  ident: bib0600
  publication-title: Acta Chem. Scand.
– volume: 21
  start-page: 437
  year: 1987
  end-page: 1444
  ident: bib0770
  publication-title: Atmos. Environ.
– volume: 58
  start-page: 1119
  year: 1986
  end-page: 1123
  ident: bib0285
  publication-title: Anal. Chem.
– volume: 193
  start-page: 447
  year: 1948
  ident: bib0060
  publication-title: Proc. R. Soc. London Ser. A
– volume: 76
  start-page: 287
  year: 2002
  ident: 10.1016/j.vibspec.2020.103072_bib0810
  publication-title: Arch. Toxicol.
  doi: 10.1007/s00204-002-0340-z
– start-page: 3572
  year: 1956
  ident: 10.1016/j.vibspec.2020.103072_bib0185
  publication-title: J. Chem. Soc. (London)
– volume: 37
  start-page: 833
  year: 1983
  ident: 10.1016/j.vibspec.2020.103072_bib0475
  publication-title: Acta Chem. Scand. B
  doi: 10.3891/acta.chem.scand.37b-0833
– volume: 30
  start-page: 481
  year: 1974
  ident: 10.1016/j.vibspec.2020.103072_bib0725
  publication-title: Br. J. Cancer
  doi: 10.1038/bjc.1974.225
– volume: 60
  start-page: 12710
  year: 1999
  ident: 10.1016/j.vibspec.2020.103072_bib0070
  publication-title: Physical Review B
  doi: 10.1103/PhysRevB.60.12710
– volume: 263
  start-page: 27
  year: 1991
  ident: 10.1016/j.vibspec.2020.103072_bib0870
  publication-title: Mutat. Res.
  doi: 10.1016/0165-7992(91)90030-8
– volume: 1042
  start-page: 23
  year: 2014
  ident: 10.1016/j.vibspec.2020.103072_bib0045
  publication-title: Comput. Theoret. Chem.
  doi: 10.1016/j.comptc.2014.04.027
– volume: 58
  start-page: 1200
  year: 1980
  ident: 10.1016/j.vibspec.2020.103072_bib0135
  publication-title: Can. J. Phys.
  doi: 10.1139/p80-159
– year: 1986
  ident: 10.1016/j.vibspec.2020.103072_bib0085
– volume: 26
  start-page: 220
  year: 1981
  ident: 10.1016/j.vibspec.2020.103072_bib0765
  publication-title: J. Chem. Eng. Data
  doi: 10.1021/je00024a040
– start-page: 83
  year: 2002
  ident: 10.1016/j.vibspec.2020.103072_bib0420
  article-title: EnviroAnalysis 2002, Proceedings of the Biennial International Conference on Monitoring and Measurement of the Environment
– ident: 10.1016/j.vibspec.2020.103072_bib0465
– volume: 190
  start-page: 232
  issue: 1959
  year: 1961
  ident: 10.1016/j.vibspec.2020.103072_bib0005
  publication-title: Nature (London, United Kingdom)
  doi: 10.1038/190232a0
– volume: 349
  start-page: 137
  year: 1996
  ident: 10.1016/j.vibspec.2020.103072_bib0830
  publication-title: Mutat. Res.
  doi: 10.1016/0027-5107(95)00173-5
– year: 2004
  ident: 10.1016/j.vibspec.2020.103072_bib0375
– volume: 21
  start-page: 775
  year: 1989
  ident: 10.1016/j.vibspec.2020.103072_bib0720
  publication-title: Int. J. Chem. Kinet.
  doi: 10.1002/kin.550210906
– volume: 152
  start-page: 575
  year: 1978
  ident: 10.1016/j.vibspec.2020.103072_bib0255
  publication-title: J. Chromatogr.
  doi: 10.1016/S0021-9673(00)85103-1
– start-page: 65
  year: 1983
  ident: 10.1016/j.vibspec.2020.103072_bib0540
  publication-title: Scand. B37
  doi: 10.3891/acta.chem.scand.37b-0065
– volume: 32
  start-page: 1894
  year: 1998
  ident: 10.1016/j.vibspec.2020.103072_bib0610
  publication-title: Environ. Sci. Technol.
  doi: 10.1021/es9706965
– start-page: 135
  year: 1983
  ident: 10.1016/j.vibspec.2020.103072_bib0675
– year: 1977
  ident: 10.1016/j.vibspec.2020.103072_bib0425
– volume: 58
  start-page: 2078
  year: 1986
  ident: 10.1016/j.vibspec.2020.103072_bib0690
  publication-title: Anal. Chem.
  doi: 10.1021/ac00122a032
– volume: 44
  start-page: 1915
  year: 1979
  ident: 10.1016/j.vibspec.2020.103072_bib0760
  publication-title: J. Org. Chem.
  doi: 10.1021/jo01326a004
– volume: B38
  start-page: 309
  year: 1984
  ident: 10.1016/j.vibspec.2020.103072_bib0650
  publication-title: Acta Chem. Scand.
  doi: 10.3891/acta.chem.scand.38b-0309
– volume: 102
  start-page: 885
  year: 2002
  ident: 10.1016/j.vibspec.2020.103072_bib0300
  publication-title: Chem. Rev.
  doi: 10.1021/cr0000729
– year: 1996
  ident: 10.1016/j.vibspec.2020.103072_bib0050
– volume: 111
  start-page: 335
  year: 1992
  ident: 10.1016/j.vibspec.2020.103072_bib0785
  publication-title: Recl. Trav. Chim. Pays-Bas
  doi: 10.1002/recl.19921110701
– volume: 58
  start-page: 1119
  year: 1986
  ident: 10.1016/j.vibspec.2020.103072_bib0285
  publication-title: Anal. Chem.
  doi: 10.1021/ac00297a031
– year: 1998
  ident: 10.1016/j.vibspec.2020.103072_bib0100
– volume: 27
  start-page: 378
  year: 1989
  ident: 10.1016/j.vibspec.2020.103072_bib0605
  publication-title: J. Chrom. Sci
  doi: 10.1093/chromsci/27.7.378
– volume: 41
  start-page: 1809
  year: 2000
  ident: 10.1016/j.vibspec.2020.103072_bib0270
  publication-title: Chemosphere
  doi: 10.1016/S0045-6535(00)00029-1
– volume: 34
  start-page: 1893
  year: 2000
  ident: 10.1016/j.vibspec.2020.103072_bib0530
  publication-title: Environ. Sci. Technol.
  doi: 10.1021/es990553d
– volume: 111
  start-page: 11683
  year: 2007
  ident: 10.1016/j.vibspec.2020.103072_bib0345
  publication-title: The Journal of Physical Chemistry A
  doi: 10.1021/jp073974n
– volume: 13
  start-page: 253
  year: 1986
  ident: 10.1016/j.vibspec.2020.103072_bib0835
  publication-title: Developments in toxicology and environmental science
– volume: 93
  start-page: 1811
  year: 1971
  ident: 10.1016/j.vibspec.2020.103072_bib0670
  publication-title: J. Org. Chem.
– volume: 90
  start-page: 158
  year: 2013
  ident: 10.1016/j.vibspec.2020.103072_bib0505
  publication-title: Chemosphere
  doi: 10.1016/j.chemosphere.2012.06.020
– volume: 32
  start-page: 1992
  year: 1984
  ident: 10.1016/j.vibspec.2020.103072_bib0525
  publication-title: Chem. Pharm. Bull.
  doi: 10.1248/cpb.32.1992
– volume: 24
  start-page: 89
  year: 1928
  ident: 10.1016/j.vibspec.2020.103072_bib0170
  publication-title: Proc. Cambridge Phil. Soc.
  doi: 10.1017/S0305004100011919
– volume: 108
  start-page: 4126
  year: 1986
  ident: 10.1016/j.vibspec.2020.103072_bib0855
  publication-title: J. Am. Chem. Soc.
  doi: 10.1021/ja00274a045
– volume: 33
  start-page: 473
  year: 2013
  ident: 10.1016/j.vibspec.2020.103072_bib0035
  publication-title: Polycyclic Aromatic Compounds
  doi: 10.1080/10406638.2013.810654
– volume: 35
  start-page: 131
  year: 1981
  ident: 10.1016/j.vibspec.2020.103072_bib0515
  publication-title: Acta Chem. Scand B
  doi: 10.3891/acta.chem.scand.35b-0131
– volume: 37
  start-page: 3379
  year: 1972
  ident: 10.1016/j.vibspec.2020.103072_bib0680
  publication-title: J. Org. Chem.
  doi: 10.1021/jo00986a053
– volume: B39
  start-page: 343
  year: 1985
  ident: 10.1016/j.vibspec.2020.103072_bib0545
  publication-title: Acta Chem. Scand.
  doi: 10.3891/acta.chem.scand.39b-0343
– volume: 48
  start-page: 30
  year: 2002
  ident: 10.1016/j.vibspec.2020.103072_bib0700
  publication-title: J. Health. Sciences
  doi: 10.1248/jhs.48.30
– volume: 999
  start-page: 22
  year: 2011
  ident: 10.1016/j.vibspec.2020.103072_bib0795
  publication-title: J. Mol. Struct.
  doi: 10.1016/j.molstruc.2011.04.033
– volume: B37
  start-page: 701
  year: 1984
  ident: 10.1016/j.vibspec.2020.103072_bib0885
  publication-title: Acta Chem. Scand.
  doi: 10.3891/acta.chem.scand.38b-0701
– volume: 7
  start-page: 1246
  year: 1999
  ident: 10.1016/j.vibspec.2020.103072_bib0265
  publication-title: Synth.
  doi: 10.1055/s-1999-3537
– volume: 37
  start-page: 2077
  year: 2003
  ident: 10.1016/j.vibspec.2020.103072_bib0660
  publication-title: Atmosph. Environ.
  doi: 10.1016/S1352-2310(03)00102-X
– volume: 55
  start-page: 286
  year: 1983
  ident: 10.1016/j.vibspec.2020.103072_bib0595
  publication-title: Anal. Chem.
  doi: 10.1021/ac00253a024
– volume: 22
  start-page: 853
  year: 2002
  ident: 10.1016/j.vibspec.2020.103072_bib0620
  publication-title: Polycyclic Aromat. Compd.
  doi: 10.1080/10406630290104004
– volume: 9
  start-page: 273
  year: 2019
  ident: 10.1016/j.vibspec.2020.103072_bib0780
  publication-title: Analytical Chemistry Letters
  doi: 10.1080/22297928.2019.1644195
– volume: 17
  start-page: 169
  year: 1991
  ident: 10.1016/j.vibspec.2020.103072_bib0020
  publication-title: Environ. Mol. Mutagen.
  doi: 10.1002/em.2850170306
– volume: 50
  start-page: 575
  year: 2003
  ident: 10.1016/j.vibspec.2020.103072_bib0410
  publication-title: Chemosphere
  doi: 10.1016/S0045-6535(02)00667-7
– volume: 58
  start-page: 555
  year: 2004
  ident: 10.1016/j.vibspec.2020.103072_bib0295
  publication-title: Appl. Spectrosc.
  doi: 10.1366/000370204774103381
– volume: 378
  start-page: 725
  year: 2004
  ident: 10.1016/j.vibspec.2020.103072_bib0415
  publication-title: Anal. Bioanal. Chem.
  doi: 10.1007/s00216-003-2449-1
– volume: 74
  start-page: 579
  year: 2009
  ident: 10.1016/j.vibspec.2020.103072_bib0555
  publication-title: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
  doi: 10.1016/j.saa.2009.07.010
– volume: 5
  start-page: 925
  year: 1984
  ident: 10.1016/j.vibspec.2020.103072_bib0890
  publication-title: Carcinogenesis
  doi: 10.1093/carcin/5.7.925
– volume: 94
  start-page: 5612
  year: 1972
  ident: 10.1016/j.vibspec.2020.103072_bib0095
  publication-title: J. Am. Chem. Soc.
  doi: 10.1021/ja00771a014
– volume: 107
  start-page: 5350
  year: 2003
  ident: 10.1016/j.vibspec.2020.103072_bib0335
  publication-title: J. Phys. Chem. B
  doi: 10.1021/jp027482g
– volume: 29
  start-page: 1637
  year: 1976
  ident: 10.1016/j.vibspec.2020.103072_bib0365
  publication-title: L’Acad. Bulg. Sci.
– volume: 193
  start-page: 447
  year: 1948
  ident: 10.1016/j.vibspec.2020.103072_bib0060
  publication-title: Proc. R. Soc. London Ser. A
  doi: 10.1098/rspa.1948.0056
– year: 2000
  ident: 10.1016/j.vibspec.2020.103072_bib0110
– volume: 515
  start-page: 73
  year: 2002
  ident: 10.1016/j.vibspec.2020.103072_bib0840
  publication-title: Mutat. Res.
  doi: 10.1016/S1383-5718(02)00007-4
– volume: 482–483
  start-page: 409
  year: 1999
  ident: 10.1016/j.vibspec.2020.103072_bib0395
  publication-title: J. Mol. Struct.
  doi: 10.1016/S0022-2860(98)00935-1
– volume: 18
  start-page: 2159
  year: 1984
  ident: 10.1016/j.vibspec.2020.103072_bib0590
  publication-title: Atmos. Environ.
  doi: 10.1016/0004-6981(84)90203-8
– volume: 98
  start-page: 1372
  year: 1993
  ident: 10.1016/j.vibspec.2020.103072_bib0155
  publication-title: J. Chem. Phys.
  doi: 10.1063/1.464304
– volume: 655
  start-page: 413
  year: 2003
  ident: 10.1016/j.vibspec.2020.103072_bib0400
  publication-title: J. Mol. Struct.
  doi: 10.1016/S0022-2860(03)00316-8
– start-page: 543
  year: 1953
  ident: 10.1016/j.vibspec.2020.103072_bib0470
– volume: 26
  start-page: 584
  year: 1988
  ident: 10.1016/j.vibspec.2020.103072_bib0280
  publication-title: J. Chromatogr. Sci.
  doi: 10.1093/chromsci/26.11.584
– volume: 109
  start-page: 2937
  year: 2005
  ident: 10.1016/j.vibspec.2020.103072_bib0340
  publication-title: J. Phys. Chem A
  doi: 10.1021/jp045733a
– volume: 60
  start-page: 194
  year: 1988
  ident: 10.1016/j.vibspec.2020.103072_bib0575
  publication-title: Anal. Chem.
  doi: 10.1021/ac00154a001
– volume: 19
  start-page: 1115
  year: 1985
  ident: 10.1016/j.vibspec.2020.103072_bib0250
  publication-title: Environ. Sci. Technol.
  doi: 10.1021/es00141a017
– volume: 5
  start-page: 618
  year: 1940
  ident: 10.1016/j.vibspec.2020.103072_bib0860
  publication-title: J. Org. Chem.
  doi: 10.1021/jo01212a008
– volume: 72
  start-page: 238
  year: 1978
  ident: 10.1016/j.vibspec.2020.103072_bib0080
  publication-title: J. Mol. Spectrosc.
  doi: 10.1016/0022-2852(78)90124-8
– volume: 54
  start-page: 1207
  year: 2004
  ident: 10.1016/j.vibspec.2020.103072_bib0460
  publication-title: Chemosphere
  doi: 10.1016/j.chemosphere.2003.09.020
– volume: 106
  start-page: 628
  year: 1987
  ident: 10.1016/j.vibspec.2020.103072_bib0750
  publication-title: Recl. Trav. Chim. Pays-Bas
  doi: 10.1002/recl.19871061205
– volume: 31
  start-page: 3471
  year: 1966
  ident: 10.1016/j.vibspec.2020.103072_bib0730
  publication-title: Collection Czechosllov. Chem. Commun.
  doi: 10.1135/cccc19663471
– volume: 22B
  start-page: 753
  year: 1983
  ident: 10.1016/j.vibspec.2020.103072_bib0490
  publication-title: Indian J. Chem.
– volume: 57
  start-page: 3746
  year: 1992
  ident: 10.1016/j.vibspec.2020.103072_bib0645
  publication-title: J. Org. Chem.
  doi: 10.1021/jo00039a049
– volume: 108
  start-page: 3713
  year: 2004
  ident: 10.1016/j.vibspec.2020.103072_bib0330
  publication-title: J. Phys. Chem. A
  doi: 10.1021/jp031163n
– start-page: 164
  year: 1956
  ident: 10.1016/j.vibspec.2020.103072_bib0195
  publication-title: J. Chem. Soc.
  doi: 10.1039/jr9560000164
– volume: 70
  start-page: 70
  year: 1985
  ident: 10.1016/j.vibspec.2020.103072_bib0485
  publication-title: Synthesis
  doi: 10.1055/s-1985-31110
– volume: 45
  start-page: 4737
  year: 2004
  ident: 10.1016/j.vibspec.2020.103072_bib0865
  publication-title: Tetrahedron Lett.
  doi: 10.1016/j.tetlet.2004.04.087
– year: 1989
  ident: 10.1016/j.vibspec.2020.103072_bib0120
– start-page: 3570
  year: 1956
  ident: 10.1016/j.vibspec.2020.103072_bib0180
  publication-title: J. Chem. Soc.
  doi: 10.1039/jr9560003570
– volume: 41
  start-page: 1048
  year: 1987
  ident: 10.1016/j.vibspec.2020.103072_bib0275
  publication-title: Appl. Spectrosc.
  doi: 10.1366/0003702874447888
– volume: 375
  start-page: 381
  year: 2003
  ident: 10.1016/j.vibspec.2020.103072_bib0435
  publication-title: Anal. Bioanal. Chem.
  doi: 10.1007/s00216-002-1698-8
– volume: 13
  start-page: 2271
  year: 1992
  ident: 10.1016/j.vibspec.2020.103072_bib0570
  publication-title: Carcingenesis
  doi: 10.1093/carcin/13.12.2271
– volume: 19
  start-page: 249
  year: 2003
  ident: 10.1016/j.vibspec.2020.103072_bib0585
  publication-title: Analytical Sciences
  doi: 10.2116/analsci.19.249
– year: 2002
  ident: 10.1016/j.vibspec.2020.103072_bib0090
– volume: 58
  start-page: 5788
  year: 1993
  ident: 10.1016/j.vibspec.2020.103072_bib0805
  publication-title: J. Org. Chem.
  doi: 10.1021/jo00073a045
– volume: 12
  start-page: 237
  year: 1959
  ident: 10.1016/j.vibspec.2020.103072_bib0440
  publication-title: Acta Crystal.
  doi: 10.1107/S0365110X59000652
– volume: B39
  start-page: 837
  year: 1985
  ident: 10.1016/j.vibspec.2020.103072_bib0600
  publication-title: Acta Chem. Scand.
  doi: 10.3891/acta.chem.scand.39b-0837
– volume: 98
  start-page: 11623
  year: 1994
  ident: 10.1016/j.vibspec.2020.103072_bib0160
  publication-title: J. Phys. Chem.
  doi: 10.1021/j100096a001
– volume: 99
  start-page: 3033
  year: 1995
  ident: 10.1016/j.vibspec.2020.103072_bib0320
  publication-title: J. Phys. Chem.
  doi: 10.1021/j100010a011
– volume: 37
  start-page: 351
  year: 1959
  ident: 10.1016/j.vibspec.2020.103072_bib0455
  publication-title: Can. J. Chem.
  doi: 10.1139/v59-045
– volume: 84
  start-page: 861
  year: 2019
  ident: 10.1016/j.vibspec.2020.103072_bib0800
  publication-title: J. Serb. Chem. Soc.
  doi: 10.2298/JSC190509045O
– volume: 104
  start-page: 3655
  year: 2000
  ident: 10.1016/j.vibspec.2020.103072_bib0315
  publication-title: J. Phys. Chem. A
  doi: 10.1021/jp993940i
– volume: 47A
  start-page: 1235
  year: 1991
  ident: 10.1016/j.vibspec.2020.103072_bib0390
  publication-title: Spectrochim. Acta
  doi: 10.1016/0584-8539(91)80210-A
– volume: 47
  start-page: 1595
  year: 1968
  ident: 10.1016/j.vibspec.2020.103072_bib0850
  publication-title: Can. J. Chem.
  doi: 10.1139/v69-262
– start-page: 3581
  year: 1956
  ident: 10.1016/j.vibspec.2020.103072_bib0200
  publication-title: J. Chem. Soc.
  doi: 10.1039/jr9560003581
– volume: 54
  start-page: 265
  year: 1982
  ident: 10.1016/j.vibspec.2020.103072_bib0695
  publication-title: Anal. Chem.
  doi: 10.1021/ac00239a028
– start-page: 4477
  year: 1955
  ident: 10.1016/j.vibspec.2020.103072_bib0190
  publication-title: J. Chem. Soc.
  doi: 10.1039/jr9550004477
– volume: 8
  start-page: 308
  year: 1985
  ident: 10.1016/j.vibspec.2020.103072_bib0755
  publication-title: JHRC& CC
– volume: 25
  start-page: 1427
  year: 1988
  ident: 10.1016/j.vibspec.2020.103072_bib0550
  publication-title: J. Heterocyclic chem.
  doi: 10.1002/jhet.5570250531
– volume: 14
  start-page: 375
  year: 1949
  ident: 10.1016/j.vibspec.2020.103072_bib0625
  publication-title: J. Org. Chem.
  doi: 10.1021/jo01155a006
– volume: 33
  start-page: 114
  year: 1968
  ident: 10.1016/j.vibspec.2020.103072_bib0735
  publication-title: J. Org. Chem.
  doi: 10.1021/jo01265a020
– volume: 98
  start-page: 4243
  year: 1994
  ident: 10.1016/j.vibspec.2020.103072_bib0325
  publication-title: J. Phys. Chem.
  doi: 10.1021/j100067a008
– volume: 187
  start-page: 67
  year: 1987
  ident: 10.1016/j.vibspec.2020.103072_bib0745
  publication-title: Mutat. Res.
  doi: 10.1016/0165-1218(87)90119-4
– volume: 153
  start-page: 7
  year: 1994
  ident: 10.1016/j.vibspec.2020.103072_bib0665
  publication-title: Sci. Total Environ.
  doi: 10.1016/0048-9697(94)90098-1
– volume: 27
  start-page: 243
  year: 1995
  ident: 10.1016/j.vibspec.2020.103072_bib0230
  publication-title: Org. Prep. Proced. Inte.
  doi: 10.1080/00304949509458464
– volume: 95
  start-page: 5524
  year: 1991
  ident: 10.1016/j.vibspec.2020.103072_bib0075
  publication-title: J. Chem. Phys.
  doi: 10.1063/1.461626
– volume: 1
  start-page: 233
  year: 1999
  ident: 10.1016/j.vibspec.2020.103072_bib0510
  publication-title: Polycyclic Aromat. Compd.
  doi: 10.1080/10406639008034766
– volume: 78
  start-page: 317
  year: 1978
  ident: 10.1016/j.vibspec.2020.103072_bib0210
  publication-title: Chem. Rev.
  doi: 10.1021/cr60314a001
– volume: 47
  start-page: 297
  year: 1998
  ident: 10.1016/j.vibspec.2020.103072_bib0710
  publication-title: Russ. Chem. Bull.
  doi: 10.1007/BF02498953
– volume: 11
  start-page: 971
  year: 1983
  ident: 10.1016/j.vibspec.2020.103072_bib0820
  publication-title: J. Toxicol. Environ. Health
  doi: 10.1080/15287398309530400
– volume: 963
  start-page: 40
  year: 2011
  ident: 10.1016/j.vibspec.2020.103072_bib0040
  publication-title: Comput. Theoret. Chem
  doi: 10.1016/j.comptc.2010.09.007
– volume: 47
  start-page: 410
  year: 1993
  ident: 10.1016/j.vibspec.2020.103072_bib0900
  publication-title: Acta Chemica Scandinavica Acta Chem. Scand.
  doi: 10.3891/acta.chem.scand.47-0410
– volume: 20
  start-page: 722
  year: 1952
  ident: 10.1016/j.vibspec.2020.103072_bib0205
  publication-title: J. Chem. Phys.
  doi: 10.1063/1.1700523
– volume: 48
  start-page: 153
  year: 2002
  ident: 10.1016/j.vibspec.2020.103072_bib0630
  publication-title: Canadian Journal of applied spectroscopy
– volume: 141
  start-page: 115
  year: 1986
  ident: 10.1016/j.vibspec.2020.103072_bib0685
  article-title: Trudy Instituta - Moskovskii Khimiko-Tekhnologicheskii Institut imeni D. I
  publication-title: Mendeleeva
– volume: 11
  start-page: 35
  year: 1998
  ident: 10.1016/j.vibspec.2020.103072_bib0215
  publication-title: Chem. Res. Toxicol.
  doi: 10.1021/tx970115p
– volume: C57
  start-page: 1462
  year: 2001
  ident: 10.1016/j.vibspec.2020.103072_bib0495
  publication-title: Acta Crystal.
– volume: 56
  start-page: 1098
  issue: 12
  year: 2001
  ident: 10.1016/j.vibspec.2020.103072_bib0815
  publication-title: J. Anal. Chem. (Zhur. Analiticheskoi Khimii
– volume: 21
  start-page: 437
  year: 1987
  ident: 10.1016/j.vibspec.2020.103072_bib0770
  publication-title: Atmos. Environ.
– volume: 16
  start-page: 389
  year: 1983
  ident: 10.1016/j.vibspec.2020.103072_bib0370
  publication-title: Bulg. Acad. Sci.
– year: 2002
  ident: 10.1016/j.vibspec.2020.103072_bib0240
– volume: 7
  start-page: 1819
  year: 1986
  ident: 10.1016/j.vibspec.2020.103072_bib0015
  publication-title: Carcinogenesis
  doi: 10.1093/carcin/7.11.1819
– volume: 46
  start-page: 618
  year: 1934
  ident: 10.1016/j.vibspec.2020.103072_bib0175
  publication-title: Phys. Rev.
  doi: 10.1103/PhysRev.46.618
– volume: 38
  start-page: 3158
  year: 1990
  ident: 10.1016/j.vibspec.2020.103072_bib0640
  publication-title: Chem. Pharm. Bull.
  doi: 10.1248/cpb.38.3158
– volume: 550-551
  start-page: 217
  year: 2000
  ident: 10.1016/j.vibspec.2020.103072_bib0450
  publication-title: J. Mol. Struct.
  doi: 10.1016/S0022-2860(00)00519-6
– volume: 27
  start-page: 1156
  year: 1984
  ident: 10.1016/j.vibspec.2020.103072_bib0220
  publication-title: J. Med. Chem.
  doi: 10.1021/jm00375a012
– volume: 106
  start-page: 120
  year: 1987
  ident: 10.1016/j.vibspec.2020.103072_bib0520
  publication-title: Recl. Trav. Chim. Pays-Bas
  doi: 10.1002/recl.19871060403
– volume: 37
  start-page: 785
  year: 1988
  ident: 10.1016/j.vibspec.2020.103072_bib0145
  publication-title: Phys. Rev. B
  doi: 10.1103/PhysRevB.37.785
– volume: 114
  start-page: 220
  year: 2013
  ident: 10.1016/j.vibspec.2020.103072_bib0380
  publication-title: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
  doi: 10.1016/j.saa.2013.05.096
– start-page: 184
  year: 1989
  ident: 10.1016/j.vibspec.2020.103072_bib0705
  publication-title: Synthesis
  doi: 10.1055/s-1989-27189
– volume: 8
  start-page: 47
  year: 1995
  ident: 10.1016/j.vibspec.2020.103072_bib0825
  publication-title: Chem. Res. Toxicol.
  doi: 10.1021/tx00043a006
– volume: 98
  start-page: 51
  year: 1998
  ident: 10.1016/j.vibspec.2020.103072_bib0875
  publication-title: Toxicol. Lett.
  doi: 10.1016/S0378-4274(98)00106-4
– volume: 202
  start-page: 515
  year: 1978
  ident: 10.1016/j.vibspec.2020.103072_bib0245
  publication-title: Science
  doi: 10.1126/science.705341
– volume: 50
  start-page: 66
  year: 2004
  ident: 10.1016/j.vibspec.2020.103072_bib0845
  publication-title: J. Health. Sci.
  doi: 10.1248/jhs.50.66
– volume: 22
  year: 1988
  ident: 10.1016/j.vibspec.2020.103072_bib0775
  publication-title: Environ. Sci. Technol.
  doi: 10.1021/es00169a015
– volume: 22
  start-page: 639
  year: 1990
  ident: 10.1016/j.vibspec.2020.103072_bib0715
  publication-title: Org. Prep. & Proced. International
  doi: 10.1080/00304949009356339
– volume: 3
  start-page: 231
  year: 1990
  ident: 10.1016/j.vibspec.2020.103072_bib0790
  publication-title: Chem. Res. Toxicol.
  doi: 10.1021/tx00015a007
– volume: XIII
  start-page: 167
  year: 1980
  ident: 10.1016/j.vibspec.2020.103072_bib0360
  publication-title: Bulg.Acad. of Sci.
– volume: 13
  start-page: 673
  year: 2000
  ident: 10.1016/j.vibspec.2020.103072_bib0235
  publication-title: Chem. Res. Toxicol.
  doi: 10.1021/tx000002x
– volume: 143
  start-page: 173
  year: 1985
  ident: 10.1016/j.vibspec.2020.103072_bib0010
  publication-title: Mutat. Res.
  doi: 10.1016/S0165-7992(85)80031-2
– volume: 284
  start-page: 6
  year: 1998
  ident: 10.1016/j.vibspec.2020.103072_bib0165
  publication-title: Chem. Phys. Lett.
  doi: 10.1016/S0009-2614(97)01282-7
– volume: 70
  start-page: 204
  year: 1931
  ident: 10.1016/j.vibspec.2020.103072_bib0055
  publication-title: Z. Physik
  doi: 10.1007/BF01339530
– year: 1978
  ident: 10.1016/j.vibspec.2020.103072_bib0065
– start-page: 169
  year: 1985
  ident: 10.1016/j.vibspec.2020.103072_bib0225
  article-title: Nitrated Polycyclic Aromatic Hydrocarbons
– volume: 137
  start-page: 1697
  year: 1965
  ident: 10.1016/j.vibspec.2020.103072_bib0115
  publication-title: Phys. Rev. A
  doi: 10.1103/PhysRev.137.A1697
– volume: 107
  start-page: 9611
  year: 2003
  ident: 10.1016/j.vibspec.2020.103072_bib0290
  publication-title: J. Phys. Chem. A
  doi: 10.1021/jp035242a
– volume: 43
  start-page: 125
  year: 1990
  ident: 10.1016/j.vibspec.2020.103072_bib0480
  publication-title: Aust. J. Chem.
  doi: 10.1071/CH9900125
– volume: 19
  start-page: 313
  year: 1985
  ident: 10.1016/j.vibspec.2020.103072_bib0580
  publication-title: Environ. Sci. Technol.
  doi: 10.1021/es00134a001
– volume: 31
  start-page: 495
  year: 1960
  ident: 10.1016/j.vibspec.2020.103072_bib0385
  publication-title: Anal. Chem.
  doi: 10.1021/ac60160a013
– volume: 154
  start-page: 1158
  year: 2008
  ident: 10.1016/j.vibspec.2020.103072_bib0430
  publication-title: J. Hazardous Materials
  doi: 10.1016/j.jhazmat.2007.11.020
– volume: 11
  start-page: 937
  year: 1998
  ident: 10.1016/j.vibspec.2020.103072_bib0615
  publication-title: Chem. Res. Toxicol.
  doi: 10.1021/tx980079+
– volume: 60B
  start-page: 577
  year: 1927
  ident: 10.1016/j.vibspec.2020.103072_bib0880
  publication-title: Ber. Dtsch. Chem. ges
  doi: 10.1002/cber.19270600251
– year: 1986
  ident: 10.1016/j.vibspec.2020.103072_bib0105
– volume: 24
  start-page: 37
  year: 2004
  ident: 10.1016/j.vibspec.2020.103072_bib0025
  publication-title: Polycyclic Aromat. Compd.
  doi: 10.1080/10406630490277443
– volume: 899
  start-page: 79
  year: 2009
  ident: 10.1016/j.vibspec.2020.103072_bib0030
  publication-title: Structure (Theochem)
  doi: 10.1016/j.theochem.2008.12.009
– volume: 26
  start-page: 376
  year: 1930
  ident: 10.1016/j.vibspec.2020.103072_bib0140
  publication-title: Proc. Cambridge Phil. Soc.
  doi: 10.1017/S0305004100016108
– volume: 382
  start-page: 93
  year: 1996
  ident: 10.1016/j.vibspec.2020.103072_bib0895
  publication-title: J. Mol. Struct.
  doi: 10.1016/0022-2860(96)09256-3
– volume: 44
  start-page: 681
  year: 2001
  ident: 10.1016/j.vibspec.2020.103072_bib0535
  publication-title: Chemosphere
  doi: 10.1016/S0045-6535(00)00516-6
– volume: 38
  start-page: 3098
  year: 1988
  ident: 10.1016/j.vibspec.2020.103072_bib0150
  publication-title: Phys. Rev. A
  doi: 10.1103/PhysRevA.38.3098
– volume: 312
  start-page: 165
  year: 1995
  ident: 10.1016/j.vibspec.2020.103072_bib0565
  publication-title: Anal. Chim. Acta
  doi: 10.1016/0003-2670(95)00218-O
– volume: 35
  start-page: 4227
  year: 2001
  ident: 10.1016/j.vibspec.2020.103072_bib0260
  publication-title: Environ. Sci. Tech.
  doi: 10.1021/es010663w
– volume: 98
  start-page: 5643
  year: 1983
  ident: 10.1016/j.vibspec.2020.103072_bib0305
  publication-title: J. Chem. Phys.
– volume: 2003
  start-page: 3162
  year: 2003
  ident: 10.1016/j.vibspec.2020.103072_bib0635
  publication-title: Eur. J. Org. Chem.
  doi: 10.1002/ejoc.200300216
– volume: 20
  start-page: 1
  year: 1999
  ident: 10.1016/j.vibspec.2020.103072_bib0125
  publication-title: J. Comput. Chem.
  doi: 10.1002/(SICI)1096-987X(19990115)20:1<1::AID-JCC2>3.0.CO;2-8
– volume: Vol. 101
  start-page: 411
  year: 1989
  ident: 10.1016/j.vibspec.2020.103072_bib0445
– volume: 57
  start-page: 365
  year: 2004
  ident: 10.1016/j.vibspec.2020.103072_bib0130
  publication-title: Aust. J. Chem.
  doi: 10.1071/CH03263
– volume: 140
  start-page: 81
  year: 1984
  ident: 10.1016/j.vibspec.2020.103072_bib0655
  publication-title: Mut. Res.
  doi: 10.1016/0165-7992(84)90047-2
– volume: 112
  start-page: 287
  year: 1993
  ident: 10.1016/j.vibspec.2020.103072_bib0740
  publication-title: Recla. Trav. Chim. Pays-Bas
  doi: 10.1002/recl.19931120504
– volume: 107
  start-page: 1486
  year: 2003
  ident: 10.1016/j.vibspec.2020.103072_bib0310
  publication-title: J. Phys. Chem. A
  doi: 10.1021/jp021938c
– volume: E57
  start-page: o9
  year: 2001
  ident: 10.1016/j.vibspec.2020.103072_bib0500
  publication-title: Acta Crystal.
– volume: 110
  start-page: 76
  year: 2006
  ident: 10.1016/j.vibspec.2020.103072_bib0350
  publication-title: J. Phys. Chem. A
  doi: 10.1021/jp054881d
– volume: 27
  start-page: 2352
  year: 1962
  ident: 10.1016/j.vibspec.2020.103072_bib0355
  publication-title: J. Org. Chem.
  doi: 10.1021/jo01054a015
– volume: 22
  start-page: 672
  year: 1988
  ident: 10.1016/j.vibspec.2020.103072_bib0405
  publication-title: Environ. Sci. Technol.
  doi: 10.1021/es00171a009
– volume: 55
  start-page: 1946
  year: 1983
  ident: 10.1016/j.vibspec.2020.103072_bib0560
  publication-title: Anal. Chem.
  doi: 10.1021/ac00262a027
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Snippet Nitrated polycyclic aromatic hydrocarbons (NPAHs) are ubiquitous in the environment. They are carcinogenic and mutagenic, thus posing great health risks to...
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SubjectTerms 1-5 benzene rings
DFT
infrared nitro asymmetric/symmetric modes
Nitrated PAHs
Title Vibrational Spectroscopic Studies of Nitrated Polycyclic Aromatic Hydrocarbons (NPAHs): A Review (1960-2019)
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