Sonochemical synthesis, crystal structure, and DFT calculation of an innovative nanosized Pb(II)-azido metal–organic coordination polymer as a precursor for preparation of PbO nanorod

A sonochemical synthesis was performed to synthesize nanosheets of an innovative lead (II) metal–organic coordination polymer (CP) [(PbN 3 Q) 2 ] n ( 1 ) (Q – = 8-hydroxyquinolinate). For precise characterization, scanning electron microscopy, elemental analysis, IR spectroscopy, X-ray powder diffr...

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Vydáno v:	Chemical papers Ročník 74; číslo 10; s. 3651 - 3660
Hlavní autoři:	Hanifehpour, Younes, Mirtamizdoust, Babak, Ahmadi, Hossein, Wang, Ruiyao, Joo, Sang Woo
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	Cham Springer International Publishing 01.10.2020 Springer Nature B.V
Témata:	Atomic properties Biochemistry Biotechnology Chemistry Chemistry and Materials Science Chemistry/Food Science Coordination numbers Coordination polymers Crystal structure Crystals Density functional theory Industrial Chemistry/Chemical Engineering Infrared analysis Infrared spectroscopy Lead Materials Science Medicinal Chemistry Nanorods Oleic acid Original Paper Prepolymers Single crystals X ray powder diffraction NBO DFT Structural determination Sonochemical Pb(II) nanopolymer Nanomorphology
ISSN:	2585-7290, 0366-6352, 1336-9075
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Abstract	A sonochemical synthesis was performed to synthesize nanosheets of an innovative lead (II) metal–organic coordination polymer (CP) [(PbN 3 Q) 2 ] n ( 1 ) (Q – = 8-hydroxyquinolinate). For precise characterization, scanning electron microscopy, elemental analysis, IR spectroscopy, X-ray powder diffraction, and single-crystal X-ray diffraction scrutiny were conducted. The X-ray structural examination indicated that 1 was a 1D chain with the two neighboring Pb(II) centers bridged together by two O atoms from two Q − ligands and two N 3 − using their two terminal N atoms. Pb(II) had a coordination number of 7 with an asymmetrical coordination geometry. The contiguous chains were linked by the π – π interactions with the aromatic circles of Q − from the chains adjacent to each other. Therefore, these weak interactions facilitated the construction of a 3D metal–organic CP using the basic 1D building block. Density functional theory was used to optimize the title complex structure. The computed natural bond orbital burdens suggested that its ascription to the Pb…Pb contacts in the chains may have been attributed to the scant positive burden in the lead (II) ions. In summary, PbO nonorods were simply synthesized by thermolysis of 1 at 180 °C using oleic acid as the surfactant.
AbstractList	A sonochemical synthesis was performed to synthesize nanosheets of an innovative lead (II) metal–organic coordination polymer (CP) [(PbN3Q)2]n (1) (Q– = 8-hydroxyquinolinate). For precise characterization, scanning electron microscopy, elemental analysis, IR spectroscopy, X-ray powder diffraction, and single-crystal X-ray diffraction scrutiny were conducted. The X-ray structural examination indicated that 1 was a 1D chain with the two neighboring Pb(II) centers bridged together by two O atoms from two Q− ligands and two N3− using their two terminal N atoms. Pb(II) had a coordination number of 7 with an asymmetrical coordination geometry. The contiguous chains were linked by the π–π interactions with the aromatic circles of Q− from the chains adjacent to each other. Therefore, these weak interactions facilitated the construction of a 3D metal–organic CP using the basic 1D building block. Density functional theory was used to optimize the title complex structure. The computed natural bond orbital burdens suggested that its ascription to the Pb…Pb contacts in the chains may have been attributed to the scant positive burden in the lead (II) ions. In summary, PbO nonorods were simply synthesized by thermolysis of 1 at 180 °C using oleic acid as the surfactant. A sonochemical synthesis was performed to synthesize nanosheets of an innovative lead (II) metal–organic coordination polymer (CP) [(PbN 3 Q) 2 ] n ( 1 ) (Q – = 8-hydroxyquinolinate). For precise characterization, scanning electron microscopy, elemental analysis, IR spectroscopy, X-ray powder diffraction, and single-crystal X-ray diffraction scrutiny were conducted. The X-ray structural examination indicated that 1 was a 1D chain with the two neighboring Pb(II) centers bridged together by two O atoms from two Q − ligands and two N 3 − using their two terminal N atoms. Pb(II) had a coordination number of 7 with an asymmetrical coordination geometry. The contiguous chains were linked by the π – π interactions with the aromatic circles of Q − from the chains adjacent to each other. Therefore, these weak interactions facilitated the construction of a 3D metal–organic CP using the basic 1D building block. Density functional theory was used to optimize the title complex structure. The computed natural bond orbital burdens suggested that its ascription to the Pb…Pb contacts in the chains may have been attributed to the scant positive burden in the lead (II) ions. In summary, PbO nonorods were simply synthesized by thermolysis of 1 at 180 °C using oleic acid as the surfactant.
Author	Wang, Ruiyao Mirtamizdoust, Babak Ahmadi, Hossein Hanifehpour, Younes Joo, Sang Woo
Author_xml	– sequence: 1 givenname: Younes orcidid: 0000-0002-1969-3308 surname: Hanifehpour fullname: Hanifehpour, Younes email: younes.hanifehpour@gmail.com organization: Department of Chemistry, Sayyed Jamaleddin Asadabadi University – sequence: 2 givenname: Babak surname: Mirtamizdoust fullname: Mirtamizdoust, Babak email: tamizdoost@qom.ac.ir organization: Department of Chemistry, Faculty of Science, University of Qom – sequence: 3 givenname: Hossein surname: Ahmadi fullname: Ahmadi, Hossein organization: Department of Chemistry, Faculty of Science, University of Qom – sequence: 4 givenname: Ruiyao surname: Wang fullname: Wang, Ruiyao organization: Department of Chemistry, Xi’an Jiaotong-Liverpool University – sequence: 5 givenname: Sang Woo surname: Joo fullname: Joo, Sang Woo email: swjoo@yu.ac.kr organization: School of Mechanical Engineering, WCU Nano Research Center, Yeungnam University
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Snippet	A sonochemical synthesis was performed to synthesize nanosheets of an innovative lead (II) metal–organic coordination polymer (CP) [(PbN 3 Q) 2 ] n ( 1 ) (Q – ... A sonochemical synthesis was performed to synthesize nanosheets of an innovative lead (II) metal–organic coordination polymer (CP) [(PbN3Q)2]n (1) (Q– =...
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SubjectTerms	Atomic properties Biochemistry Biotechnology Chemistry Chemistry and Materials Science Chemistry/Food Science Coordination numbers Coordination polymers Crystal structure Crystals Density functional theory Industrial Chemistry/Chemical Engineering Infrared analysis Infrared spectroscopy Lead Materials Science Medicinal Chemistry Nanorods Oleic acid Original Paper Prepolymers Single crystals X ray powder diffraction
Title	Sonochemical synthesis, crystal structure, and DFT calculation of an innovative nanosized Pb(II)-azido metal–organic coordination polymer as a precursor for preparation of PbO nanorod
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