An Iodoargentate Hybrid Coordination Polymer Constructed by Methyl Viologen: Structure, Properties and Theoretical Study

被引：16

作者：

Li, Hao-Hong ^{[1
]}

Chen, Shao-Yong ^{[1
]}

Dong, Hai-Jun ^{[1
]}

Wu, Yan-Ling ^{[1
]}

Chen, Zhi-Rong ^{[1
]}

机构：

[1] Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350108, Fujian, Peoples R China

来源：

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 2011年 / 41卷 / 06期

基金：

高等学校博士学科点专项科研基金; 中国国家自然科学基金;

关键词：

Organic-inorganic hybrid; Iodoargentate; DFT calculation; CRYSTAL-STRUCTURE; FRAMEWORKS; HYDROGEN; IODIDE;

D O I：

10.1007/s10870-011-0013-y

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

An iodoargentate hybrid coordination polymer induced by MV2+, [MV(Ag2I4)](n) (1) (MV = methyl viologen, i.e., 1,1-dimethyl-4,4-bipyridinium), has been obtained and structurally determined. In 1, (Ag2I4)(n)(2-) chain exhibits a new type of zigzag-like configuration constructed from edge-sharing of normal and distorted AgI4 tetrahedra, hydrogen bonds between MV2+ cations and (Ag2I4)(n)(2-) chains contributed to the formation of quasi-two-dimensional structure. The band gap of 2.12 eV based on optical absorption spectrum indicated its semiconductor nature. Quantum chemistry calculation with DFT method was carried out to reveal its electronic structure.

引用

页码：858 / 863

页数：6

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