Cu2I2[NH(CH3)2]2: synthesis, structure, characterizations and theoretical studies

Abstract

Using monodentate aliphatic amine [NH(CH3)2] as structural modifier, a new discrete iodocuprate hybrid, i.e. Cu2I2[NH(CH3)2]2 (1), has been solvothermally constructed and structurally characterized. 1 features a cubane-like [Cu4I4] core decorated by four [NH(CH3)2] ligands. It possesses a wide band gap and moderate thermal stability, exhibiting a strong orange light emission with the high photoluminescence quantum yield of 59.9%. The Hirshfeld surface analyses, X-ray photoelectron spectroscopy and theoretical studies of title compound have also been performed.