Structures, Properties and Theoretical Studies on Two Viologen/Iodoargentate Supramolecular Hybrids

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摘要

Two iodoargentate hybrids templated by viologen or viologen-like cations, i.e. [MV(Ag2I4)]n (1) and [MBYP(AgI2)]n (2), (MV2+ = methyl viologen, MBYP+ = 1-methyl-2,2΄- bipyridine) have been synthesized in polar organic solvents. (Ag2I4)n2- and (AgI2)n2- chains in both compounds were constructed from edge-sharing of normal and distorted AgI4 tetrahedra, and a 2-D supramolecular layer based on C–H•••I hydrogen bond was observed in 1. The band gaps of 1.54 and 2.67 eV indicated their semiconductor nature. Their band gap difference was led by different hydrogen bond donors in MV2+ and MBYP+, which result in more diffused p-π* antibonding orbitals in MV2+.

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	吴琪琪
	黄攀
	范林涛
	李敏
	陈之荣
	李奕
	李浩宏

关键词 ： organic-inorganic hybrid, iodoargentate, viologen, DFT calculation

Abstract：Two iodoargentate hybrids templated by viologen or viologen-like cations, i.e. [MV(Ag2I4)]n (1) and [MBYP(AgI2)]n (2), (MV2+ = methyl viologen, MBYP+ = 1-methyl-2,2΄- bipyridine) have been synthesized in polar organic solvents. (Ag2I4)n2- and (AgI2)n2- chains in both compounds were constructed from edge-sharing of normal and distorted AgI4 tetrahedra, and a 2-D supramolecular layer based on C–H•••I hydrogen bond was observed in 1. The band gaps of 1.54 and 2.67 eV indicated their semiconductor nature. Their band gap difference was led by different hydrogen bond donors in MV2+ and MBYP+, which result in more diffused p-π* antibonding orbitals in MV2+.

Key words： organic-inorganic hybrid iodoargentate viologen DFT calculation

收稿日期: 2016-03-16 出版日期: 2016-11-10

基金资助:

Project supported by the National Natural Science Foundation for Fostering Talents in Basic Research (No. J1103303), National
Natural Science Foundation of China (21271043) and Qishan Scholars Program of Fuzhou University (No. XQS-1403)

通讯作者: zrchen@fzu.edu.cn E-mail: zrchen@fzu.edu.cn

引用本文:

吴琪琪;黄攀;范林涛;李敏;陈之荣;李奕;李浩宏. Structures, Properties and Theoretical Studies on Two Viologen/Iodoargentate Supramolecular Hybrids[J]. 结构化学, 2016, 35(11): 1637-1644.
WU Qi-Qi;HUANG Pan;FAN Lin-Tao;LI Min;CHEN Zhi-Rong;LI Yi;LI Hao-Hong. Structures, Properties and Theoretical Studies on Two Viologen/Iodoargentate Supramolecular Hybrids. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2016, 35(11): 1637-1644.

链接本文:

http://manu30.magtech.com.cn/jghx/CN/ 或 http://manu30.magtech.com.cn/jghx/CN/Y2016/V35/I11/1637

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