Design of Perchlorotriphenylmethyl (PTM) Radical‐Based Compounds for Optoelectronic Applications: The Role of Orbital Delocalization

Perchlorotriphenylmethyl (PTM) radical‐based compounds are widely exploited as molecular switching units. However, their application in optoelectronics is limited by the fact that they exhibit intense absorption bands only in a narrow range of the UV region around 385 nm. Recent experimental works h...

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Vydáno v:Chemphyschem Ročník 19; číslo 19; s. 2572 - 2578
Hlavní autoři: Diez‐Cabanes, Valentín, Seber, Gonca, Franco, Carlos, Bejarano, Francesc, Crivillers, Nuria, Mas‐Torrent, Marta, Veciana, Jaume, Rovira, Concepció, Cornil, Jérôme
Médium: Journal Article
Jazyk:angličtina
Vydáno: Germany Wiley Subscription Services, Inc 05.10.2018
Témata:
Absorption spectra
Density functional theory
Donor-Acceptor
Molecular orbitals
Optical properties
Opto-electronics
Optoelectronics
Polychlorotriphenylmethyl PTM radical
TD-DFT calculations
Time dependence
Polychlorotriphenylmethyl PTM radical
Opto-electronics
Donor-Acceptor
TD-DFT calculations
absorption spectra
ISSN:1439-4235, 1439-7641, 1439-7641
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Abstract Perchlorotriphenylmethyl (PTM) radical‐based compounds are widely exploited as molecular switching units. However, their application in optoelectronics is limited by the fact that they exhibit intense absorption bands only in a narrow range of the UV region around 385 nm. Recent experimental works have reported new PTM based compounds which present a broad absorption in the visible region although the origin of this behavior is not fully explained. In this context, Time‐Dependent Density Functional Theory (TD‐DFT) calculations have been performed to rationalize the optical properties of these compounds. Moreover, a new compound based on PTM disubstituted with bistriazene units has been synthetized and characterized to complete the set of available experimental data on related compounds. The results point to the delocalization of the Highest Occupied Molecular Orbital (HOMO) of the substituents along the PTM core as the origin of the new high absorption bands in the visible region. As a consequence, the absorption of the PTM‐based compounds can be tuned via the choice of the nature of the donor substituent, type of connection, and number of substituents. Organic radicals for optoelectronics: Time‐dependent density functional theory (TD‐DFT) calculations are combined with experimental data to shed light on the complex mechanism that drives the absorption properties of perchlorotriphenylmethyl (PTM) radical‐based compounds, where the radical PTMs act as electron acceptors (A) and the substituents as electron donors (D). The results point to the relevance of the nature, type of connections, and number of donor substituents for controlling the absorption of these D–A organic radical compounds in the visible region (see picture).
AbstractList Perchlorotriphenylmethyl (PTM) radical-based compounds are widely exploited as molecular switching units. However, their application in optoelectronics is limited by the fact that they exhibit intense absorption bands only in a narrow range of the UV region around 385 nm. Recent experimental works have reported new PTM based compounds which present a broad absorption in the visible region although the origin of this behavior is not fully explained. In this context, Time-Dependent Density Functional Theory (TD-DFT) calculations have been performed to rationalize the optical properties of these compounds. Moreover, a new compound based on PTM disubstituted with bistriazene units has been synthetized and characterized to complete the set of available experimental data on related compounds. The results point to the delocalization of the Highest Occupied Molecular Orbital (HOMO) of the substituents along the PTM core as the origin of the new high absorption bands in the visible region. As a consequence, the absorption of the PTM-based compounds can be tuned via the choice of the nature of the donor substituent, type of connection, and number of substituents.
Perchlorotriphenylmethyl (PTM) radical-based compounds are widely exploited as molecular switching units. However, their application in optoelectronics is limited by the fact that they exhibit intense absorption bands only in a narrow range of the UV region around 385 nm. Recent experimental works have reported new PTM based compounds which present a broad absorption in the visible region although the origin of this behavior is not fully explained. In this context, Time-Dependent Density Functional Theory (TD-DFT) calculations have been performed to rationalize the optical properties of these compounds. Moreover, a new compound based on PTM disubstituted with bistriazene units has been synthetized and characterized to complete the set of available experimental data on related compounds. The results point to the delocalization of the Highest Occupied Molecular Orbital (HOMO) of the substituents along the PTM core as the origin of the new high absorption bands in the visible region. As a consequence, the absorption of the PTM-based compounds can be tuned via the choice of the nature of the donor substituent, type of connection, and number of substituents.Perchlorotriphenylmethyl (PTM) radical-based compounds are widely exploited as molecular switching units. However, their application in optoelectronics is limited by the fact that they exhibit intense absorption bands only in a narrow range of the UV region around 385 nm. Recent experimental works have reported new PTM based compounds which present a broad absorption in the visible region although the origin of this behavior is not fully explained. In this context, Time-Dependent Density Functional Theory (TD-DFT) calculations have been performed to rationalize the optical properties of these compounds. Moreover, a new compound based on PTM disubstituted with bistriazene units has been synthetized and characterized to complete the set of available experimental data on related compounds. The results point to the delocalization of the Highest Occupied Molecular Orbital (HOMO) of the substituents along the PTM core as the origin of the new high absorption bands in the visible region. As a consequence, the absorption of the PTM-based compounds can be tuned via the choice of the nature of the donor substituent, type of connection, and number of substituents.
Perchlorotriphenylmethyl (PTM) radical‐based compounds are widely exploited as molecular switching units. However, their application in optoelectronics is limited by the fact that they exhibit intense absorption bands only in a narrow range of the UV region around 385 nm. Recent experimental works have reported new PTM based compounds which present a broad absorption in the visible region although the origin of this behavior is not fully explained. In this context, Time‐Dependent Density Functional Theory (TD‐DFT) calculations have been performed to rationalize the optical properties of these compounds. Moreover, a new compound based on PTM disubstituted with bistriazene units has been synthetized and characterized to complete the set of available experimental data on related compounds. The results point to the delocalization of the Highest Occupied Molecular Orbital (HOMO) of the substituents along the PTM core as the origin of the new high absorption bands in the visible region. As a consequence, the absorption of the PTM‐based compounds can be tuned via the choice of the nature of the donor substituent, type of connection, and number of substituents. Organic radicals for optoelectronics: Time‐dependent density functional theory (TD‐DFT) calculations are combined with experimental data to shed light on the complex mechanism that drives the absorption properties of perchlorotriphenylmethyl (PTM) radical‐based compounds, where the radical PTMs act as electron acceptors (A) and the substituents as electron donors (D). The results point to the relevance of the nature, type of connections, and number of donor substituents for controlling the absorption of these D–A organic radical compounds in the visible region (see picture).
Author Crivillers, Nuria
Seber, Gonca
Bejarano, Francesc
Franco, Carlos
Mas‐Torrent, Marta
Diez‐Cabanes, Valentín
Rovira, Concepció
Veciana, Jaume
Cornil, Jérôme
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Cites_doi 10.1039/C7QM00273D
10.1039/c1cp21246j
10.1103/RevModPhys.71.1253
10.1021/jp8094853
10.1021/ja710845v
10.1021/jacs.6b02888
10.1021/ja038988v
10.1002/chem.201604700
10.1021/jacs.6b12601
10.1002/anie.200460495
10.1039/C4CP05929H
10.1038/nchem.1013
10.1021/acs.chemmater.7b01521
10.1002/chem.201701875
10.1021/ja803049g
10.1002/adma.200801707
10.1002/ange.201411572
10.1021/cm400147p
10.1021/jp803064k
10.1021/ja066351g
10.1080/00268977900102871
10.1063/1.4871895
10.1002/jcc.1058
10.1021/jacs.6b08649
10.1016/j.cplett.2004.06.011
10.1021/ja068235j
10.1039/C5RA14268G
10.1021/ja039556n
10.1063/1.1558471
10.1016/0009-2614(91)90478-R
10.1038/ncomms12066
10.1002/chem.201500497
10.1016/j.theochem.2009.07.036
10.1021/acs.nanolett.5b00155
10.1063/1.464913
10.1002/ange.200460495
10.1002/chem.201701623
10.1002/chem.201405993
10.1002/anie.201411572
10.1039/C2CS35394F
10.1039/C3CP55336A
10.1002/poc.3296
10.1021/acs.jpca.7b00752
10.1021/acs.jpclett.6b00912
10.1002/qua.560140504
10.1103/PhysRev.46.618
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Issue 19
Keywords Polychlorotriphenylmethyl PTM radical
Opto-electronics
Donor-Acceptor
TD-DFT calculations
absorption spectra
Language English
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References 1979; 38
2015; 15
2007; 129
2004 2004; 43 116
2015; 17
2017; 1
2009; 914
2004; 126
2013; 25
2015; 5
2003; 118
2009; 21
1934; 46
2013; 42
2017; 23
2014; 27
2009; 113
2011; 13
2017; 29
1978; 14
2001; 22
2011; 3
2018; 21
2017; 139
1991; 187
2016; 7
1993; 98
2004; 393
2015; 21
2014; 16
2015 2015; 54 127
2016; 138
2014; 140
2017; 121
2008; 112
1999; 71
2008; 130
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e_1_2_7_8_1
e_1_2_7_7_1
e_1_2_7_19_1
e_1_2_7_18_1
e_1_2_7_17_1
e_1_2_7_16_1
e_1_2_7_40_1
e_1_2_7_2_1
e_1_2_7_15_1
e_1_2_7_41_1
e_1_2_7_1_1
e_1_2_7_13_2
e_1_2_7_14_1
e_1_2_7_42_1
e_1_2_7_13_1
e_1_2_7_43_1
e_1_2_7_12_1
e_1_2_7_44_1
e_1_2_7_11_1
e_1_2_7_45_1
e_1_2_7_10_1
e_1_2_7_46_1
e_1_2_7_26_1
e_1_2_7_27_1
e_1_2_7_28_1
e_1_2_7_29_1
Bejarano F. (e_1_2_7_37_1) 2018; 21
e_1_2_7_30_1
e_1_2_7_25_1
e_1_2_7_31_1
e_1_2_7_24_1
e_1_2_7_32_1
e_1_2_7_23_1
e_1_2_7_33_1
e_1_2_7_22_1
e_1_2_7_34_1
e_1_2_7_21_1
e_1_2_7_35_1
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References_xml – volume: 129
  start-page: 6117
  year: 2007
  end-page: 6129
  publication-title: J. Am. Chem. Soc.
– volume: 23
  start-page: 1415
  year: 2017
  end-page: 1421
  publication-title: Chem. A Eur. J.
– volume: 130
  start-page: 12064
  year: 2008
  end-page: 12072
  publication-title: J. Am. Chem. Soc.
– volume: 7
  start-page: 2234
  year: 2016
  end-page: 2239
  publication-title: J. Phys. Chem. Lett.
– volume: 113
  start-page: 3009
  year: 2009
  end-page: 3020
  publication-title: J. Phys. Chem. A
– volume: 42
  start-page: 845
  year: 2013
  end-page: 856
  publication-title: Chem. Soc. Rev.
– volume: 138
  start-page: 11517
  year: 2016
  end-page: 11525
  publication-title: J. Am. Chem. Soc.
– volume: 23
  start-page: 11067
  year: 2017
  end-page: 11075
  publication-title: Chem. A Eur. J.
– volume: 21
  start-page: 5504
  year: 2015
  end-page: 5509
  publication-title: Chem. A Eur. J.
– volume: 914
  start-page: 60
  year: 2009
  end-page: 73
  publication-title: J. Mol. Struct.: THEOCHEM
– volume: 38
  start-page: 1795
  year: 1979
  end-page: 1812
  publication-title: Mol. Phys.
– volume: 393
  start-page: 51
  year: 2004
  end-page: 57
  publication-title: Chem. Phys. Lett.
– volume: 112
  start-page: 13225
  year: 2008
  end-page: 13230
  publication-title: J. Phys. Chem. A
– volume: 3
  start-page: 359
  year: 2011
  end-page: 364
  publication-title: Nat. Chem.
– volume: 129
  start-page: 5515
  year: 2007
  end-page: 5527
  publication-title: J. Am. Chem. Soc.
– volume: 1
  start-page: 2132
  year: 2017
  end-page: 2135
  publication-title: Mater. Chem. Front.
– volume: 139
  start-page: 4262
  year: 2017
  publication-title: J. Am. Chem. Soc.
– volume: 71
  start-page: 1253
  year: 1999
  end-page: 1266
  publication-title: Rev. Mod. Phys.
– volume: 21
  start-page: 8816
  year: 2015
  end-page: 8825
  publication-title: Chem. A Eur. J.
– volume: 25
  start-page: 808
  year: 2013
  end-page: 815
  publication-title: Chem. Mater.
– volume: 21
  start-page: 8816
  year: 2018
  end-page: 8825
  publication-title: J. Am. Chem. Soc.
– volume: 126
  start-page: 4007
  year: 2004
  end-page: 4016
  publication-title: J. Am. Chem. Soc.
– volume: 14
  start-page: 561
  year: 1978
  end-page: 581
  publication-title: Int. J. Quantum Chem.
– volume: 5
  start-page: 64802
  year: 2015
  end-page: 64805
  publication-title: RSC Adv.
– volume: 23
  start-page: 7698
  year: 2017
  end-page: 7702
  publication-title: Chem. Eur. J.
– volume: 139
  start-page: 686
  year: 2017
  end-page: 692
  publication-title: J. Am. Chem. Soc.
– volume: 121
  start-page: 3929
  year: 2017
  end-page: 3942
  publication-title: J. Phys. Chem. A
– volume: 21
  start-page: 1177
  year: 2009
  end-page: 1181
  publication-title: Adv. Mater.
– volume: 130
  start-page: 5499
  year: 2008
  end-page: 5506
  publication-title: , J. Am. Chem. Soc.
– volume: 46
  start-page: 618
  year: 1934
  end-page: 622
  publication-title: Phys. Rev.
– volume: 126
  start-page: 730
  year: 2004
  end-page: 731
  publication-title: J. Am. Chem. Soc.
– volume: 13
  start-page: 18615
  year: 2011
  end-page: 18625
  publication-title: Phys. Chem. Chem. Phys.
– volume: 22
  start-page: 976
  year: 2001
  end-page: 984
  publication-title: Comput. Chem.
– volume: 140
  start-page: 164903
  year: 2014
  publication-title: J. Chem. Phys.
– volume: 29
  start-page: 6733
  year: 2017
  publication-title: Chem. Mater.
– volume: 17
  start-page: 11848
  year: 2015
  end-page: 11867
  publication-title: Phys. Chem. Chem. Phys.
– volume: 27
  start-page: 465
  year: 2014
  end-page: 469
  publication-title: J. Phys. Org. Chem.
– volume: 98
  start-page: 5648
  year: 1993
  end-page: 5652
  publication-title: J. Chem. Phys.
– volume: 16
  start-page: 14334
  year: 2014
  end-page: 14356
  publication-title: Phys. Chem. Chem. Phys.
– volume: 54 127
  start-page: 3731 3802
  year: 2015 2015
  end-page: 3734 3805
  publication-title: Angew. Chem. Int. Ed. Angew. Chem.
– volume: 187
  start-page: 21
  year: 1991
  end-page: 28
  publication-title: Chem. Phys. Lett.
– volume: 43 116
  start-page: 5851 5976
  year: 2004 2004
  end-page: 5856 5981
  publication-title: Angew. Chem. Int. Ed. Angew. Chem.
– volume: 118
  start-page: 4775
  year: 2003
  end-page: 77
  publication-title: J. Chem. Phys.
– volume: 15
  start-page: 3109
  year: 2015
  end-page: 3114
  publication-title: Nano Lett.
– volume: 7
  start-page: 12066
  year: 2016
  publication-title: Nat. Commun.
– ident: e_1_2_7_32_1
  doi: 10.1039/C7QM00273D
– ident: e_1_2_7_35_1
  doi: 10.1039/c1cp21246j
– ident: e_1_2_7_42_1
  doi: 10.1103/RevModPhys.71.1253
– ident: e_1_2_7_45_1
  doi: 10.1021/jp8094853
– ident: e_1_2_7_7_1
  doi: 10.1021/ja710845v
– ident: e_1_2_7_6_1
  doi: 10.1021/jacs.6b02888
– ident: e_1_2_7_4_1
  doi: 10.1021/ja038988v
– ident: e_1_2_7_38_1
  doi: 10.1002/chem.201604700
– ident: e_1_2_7_12_1
  doi: 10.1021/jacs.6b12601
– ident: e_1_2_7_13_1
  doi: 10.1002/anie.200460495
– ident: e_1_2_7_17_1
  doi: 10.1039/C4CP05929H
– ident: e_1_2_7_9_1
  doi: 10.1038/nchem.1013
– ident: e_1_2_7_31_1
  doi: 10.1021/acs.chemmater.7b01521
– ident: e_1_2_7_16_1
  doi: 10.1002/chem.201701875
– ident: e_1_2_7_5_1
  doi: 10.1021/ja803049g
– volume: 21
  start-page: 8816
  year: 2018
  ident: e_1_2_7_37_1
  publication-title: J. Am. Chem. Soc.
– ident: e_1_2_7_8_1
  doi: 10.1002/adma.200801707
– ident: e_1_2_7_3_2
  doi: 10.1002/ange.201411572
– ident: e_1_2_7_15_1
  doi: 10.1021/cm400147p
– ident: e_1_2_7_39_1
  doi: 10.1021/jp803064k
– ident: e_1_2_7_1_1
  doi: 10.1021/ja066351g
– ident: e_1_2_7_25_1
  doi: 10.1080/00268977900102871
– ident: e_1_2_7_33_1
  doi: 10.1063/1.4871895
– ident: e_1_2_7_44_1
  doi: 10.1002/jcc.1058
– ident: e_1_2_7_18_1
  doi: 10.1021/jacs.6b08649
– ident: e_1_2_7_36_1
  doi: 10.1016/j.cplett.2004.06.011
– ident: e_1_2_7_14_1
  doi: 10.1021/ja068235j
– ident: e_1_2_7_29_1
  doi: 10.1039/C5RA14268G
– ident: e_1_2_7_34_1
  doi: 10.1021/ja039556n
– ident: e_1_2_7_46_1
  doi: 10.1063/1.1558471
– ident: e_1_2_7_27_1
  doi: 10.1016/0009-2614(91)90478-R
– ident: e_1_2_7_11_1
  doi: 10.1038/ncomms12066
– ident: e_1_2_7_21_1
  doi: 10.1002/chem.201500497
– ident: e_1_2_7_41_1
  doi: 10.1016/j.theochem.2009.07.036
– ident: e_1_2_7_43_1
– ident: e_1_2_7_10_1
  doi: 10.1021/acs.nanolett.5b00155
– ident: e_1_2_7_28_1
  doi: 10.1063/1.464913
– ident: e_1_2_7_13_2
  doi: 10.1002/ange.200460495
– ident: e_1_2_7_23_1
  doi: 10.1002/chem.201701623
– ident: e_1_2_7_30_1
  doi: 10.1002/chem.201405993
– ident: e_1_2_7_3_1
  doi: 10.1002/anie.201411572
– ident: e_1_2_7_19_1
  doi: 10.1039/C2CS35394F
– ident: e_1_2_7_20_1
  doi: 10.1039/C3CP55336A
– ident: e_1_2_7_2_1
  doi: 10.1002/poc.3296
– ident: e_1_2_7_40_1
  doi: 10.1021/acs.jpca.7b00752
– ident: e_1_2_7_22_1
  doi: 10.1021/acs.jpclett.6b00912
– ident: e_1_2_7_24_1
  doi: 10.1002/qua.560140504
– ident: e_1_2_7_26_1
  doi: 10.1103/PhysRev.46.618
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Snippet Perchlorotriphenylmethyl (PTM) radical‐based compounds are widely exploited as molecular switching units. However, their application in optoelectronics is...
Perchlorotriphenylmethyl (PTM) radical-based compounds are widely exploited as molecular switching units. However, their application in optoelectronics is...
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SubjectTerms Absorption spectra
Density functional theory
Donor-Acceptor
Molecular orbitals
Optical properties
Opto-electronics
Optoelectronics
Polychlorotriphenylmethyl PTM radical
TD-DFT calculations
Time dependence
Title Design of Perchlorotriphenylmethyl (PTM) Radical‐Based Compounds for Optoelectronic Applications: The Role of Orbital Delocalization
URI https://onlinelibrary.wiley.com/doi/abs/10.1002%2Fcphc.201800321
https://www.ncbi.nlm.nih.gov/pubmed/29877600
https://www.proquest.com/docview/2116346557
https://www.proquest.com/docview/2051665334
Volume 19
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