A new luminescent Cu(I) complex stabilized by Cu⋅⋅⋅Cu interactions

A novel luminescent Cu(I) compound, [Cu(HtrzS)]n (1 HtrzSH=1H-1,2,4-triazole-3-thiol), was hydrothermally synthesized, which features a two-dimensional (2D) inorganic–organic hybrid framework containing a inorganic [CuS]n layer. Further, this 2D framework is connected by the intermolecular hydrogen bonds into a three-dimensional (3D) supramolecular framework. Optical diffuse reflectance study reveals an optical band gap of 3.44 eV, making it a wide band gap semiconductor. Moreover, this compound exhibits strong photoluminescence at room temperature. The densities of states (DOS) calculations reveal that luminescence emission bands of the compound originate from the ligand-to-metal charge transfer.