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

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Two iodoargentate hybrids templated by viologen or viologen-like cations, i.e. [MV(Ag_2I_4)]n(1) and [MBYP(AgI 2)]n(2),(MV~(2+) = methyl viologen, MBYP+ = 1-methyl-2,2?-bipyridine) have been synthesized in polar organic solvents.(Ag_2I_4)2-n and(Ag I2)2- n chains in both compounds were constructed from edge-sharing of normal and distorted Ag I4 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 e V indicated their semiconductor nature. Their band gap difference was led by different hydrogen bond donors in MV~(2+) and MBYP+, which result in more diffused p-π* antibonding orbitals in MV~(2+). Two iodoargentate hybrids are templated by viologen or viologen-like cations, ie [MV (Ag_2I_4)] n (1) and [MBYP (AgI 2)] n (Ag_2I_4) 2-n and (Ag I2) 2-n chains in both compounds were constructed from edge-sharing of normal and distorted Ag I4 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 e V indicated their semiconductor nature. Their band gap difference was led by different hydrogen bond donors in MV ~ (2+) and MBYP +, which result in more diffused p-π * antibonding orbitals in MV ~ (2+).
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