| Synthesis and Theoretical Investigation of a New Hybrid Polymeric Iodoplumbate Based on Co-template： [（ipq）2（pea）（Pb3I9）·DMF]n |
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| 引用本文： | 王莹淑,郑辉东.Synthesis and Theoretical Investigation of a New Hybrid Polymeric Iodoplumbate Based on Co-template： [（ipq）2（pea）（Pb3I9）·DMF]n[J].结构化学,2009,28(7):886-892. |
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| 作者姓名： | 王莹淑 郑辉东 |
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| 作者单位： | College;Chemistry;Chemical;Engineering;Fuzhou;University; |
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| 基金项目： | Supported by the Natural Science Foundation of Fujian Province (E0710008);;Innovation Fund for Young Scientist of Fujian Province (2007F3049);;Fund of Education Committee of Fujian Province (JA07018);;the Special Foundation for Young Scientists of Fuzhou University (XRC-0644);;Science & Technology Promotion Foundation of Fuzhou University (XJJ-0605) |
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| 摘 要： | A new iodiplumbate polymer （ipq）2（pea）（Pb3I9）-DMF]n 1 （ipq = N-（isopentyl）- quinolinium, pea = protonated ethylamine） was synthesized by self-assembly reaction of ipq·I, PbI2 with ethylamine and structurally characterized. 1 crystallizes in the triclinic system, space group P1 with α= 1.0731（4）, b = 1.2560（4）, c = 2.0785（7） nm, α = 96.378（5）, β= 91.132（2）, γ= 100.303（5）°, V= 2.7369（16） nm^3, Z= 2, Dc = 2.770 g/cm^3,μ = 14.307 mm^-1, F（000） = 2014, R = 0.0588 and wR = 0.1345. 1 features its hybrid structure concertedly templated by two kinds of organic cations, which exhibits interesting semiconductor property. In 1, the Pb2I6]^2 n infinite chains shape the sketch of the title compound constructed from face-sharing of ideal and distorted PbI6 octahedra. Based on the crystal structure data, quantum chemistry calculation with DFT was used to reveal the electronic structure of 1.
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| 关 键 词： | 二甲基甲酰胺 混合聚合物 豌豆 模板 合成 量子化学计算 混合结构 有机阳离子 |
Synthesis and Theoretical Investigation of a New Hybrid Polymeric Iodoplumbate Based on Co-template:[(ipq)2(pea)(Pb3I9)·DMF]n |
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| WANG Ying-Shu,ZHENG Hui-Dong.Synthesis and Theoretical Investigation of a New Hybrid Polymeric Iodoplumbate Based on Co-template:[(ipq)2(pea)(Pb3I9)·DMF]n[J].Chinese Journal of Structural Chemistry,2009,28(7):886-892. |
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| Authors: | WANG Ying-Shu ZHENG Hui-Dong |
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| Institution: | College of Chemistry and Chemical Engineering,Fuzhou University,Fuzhou,Fujian 350002,China |
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| Abstract: | A new iodiplumbate polymer (ipq)2(pea)(Pb3I9)·DMF]n1 (ipq=N-(isopentyl)-quinolinium,pea=protonated ethylamine) was synthesized by self-assembly reaction of ipq'I,PbI2with ethylamine and structurally characterized.1 crystallizes in the triclinic system,space group P(1) with a=1.0731(4),b=1.2560(4),c=2.0785(7) nm,α=96.378(5),β=91.132(2),γ=100.303(5)°,V=2.7369(16) nm3,Z=2,Dc=2.770 g/cm3,μ=14.307 mm-1,F(000)=2014,R=0.0588 and wR =0.1345.1 features its hybrid structure concertedly templated by two kinds of organic cations,which exhibits interesting semiconductor property.In 1,the Pb2I6]2- infinite chains shape the sketch of the title compound constructed from face-sharing of ideal and distorted PbI6 octahedra. Based on the crystal structure data,quantum chemistry calculation with DFT was used to reveal the electronic structure of 1. |
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| Keywords: | Co-template iodiplumbate polymer crystal structure density functional theory |
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