A combined experimental and theoretical investigation on solvent-dependent luminescence behavior of a Cu(I)-MOF

A new Cu(I)-based complex with chemical formulae [Cu7(CN)7(4,4′-bipy)] (1), (4,4′-bipy = 4,4′-bipyridine) has been synthesized and structurally characterized. Single-crystal X-ray analyses reveal that compound 1 exhibits threading network constructed by a 2D sheet and 1D chain. The photoluminescent property of 1 in different solvents has been investigated and corroborated by theoretical calculations. The obtained results are in good agreement with the results of solvent-dependent luminescence experimental behaviors. An extended analysis of experimental and computational result for 1 indicates that strong metal-solvent bonding interaction plays a dominant role in the sensing of various solvents