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

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.