Citation: 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[J]. Chinese Journal of Structural Chemistry, ;2016, 35(11): 1637-1644. doi: 10.14102/j.cnki.0254-5861.2011-1199 shu

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

1.
College of Chemistry, Fuzhou University, Fuzhou 350116, China

Received Date: 5 March 2016
Available Online: 26 September 2016
Fund Project: Project supported by the National Natural Science Foundation for Fostering Talents in Basic Research (No. J1103303) (No. J1103303) National Natural Science Foundation of China (21271043) (21271043)Qishan Scholars Program of Fuzhou University (No. XQS-1403) (No. XQS-1403)

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)_n^2- and (AgI₂)_n^2-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⁺.
- organic-inorganic hybrid,
- iodoargentate,
- viologen,
- DFT calculation
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