Bright Orange-Red Emission in a New Heteroleptic Cu(I) complex Based on Phosphine/Pyrazoline Ligands

A new mononuclear heteroleptic Cu1 complex based on mixed phosphine/thiocarbamoyl-pyrazoline ligands was synthesized and structurally characterized. The complex exhibited distorted tetrahedral coordination geometry around metallic atom and interesting photophysical properties as strong absorption in the UV-Vis range and bright orange-red emission observed in the solid state upon excitation of the prepared compound at À.ex =290 nm. As shown by TD-DFT studies, the absorption and emission behavior of this new compound proved primarily to be related to HOMO and HOM0-1 to LUMO orbitais involving ((M+X)LCT Cu(d1º)-+n.(S=C-Npyrazoline ring)) electronic transitions. The complete characterization of this new Copper(I) complex also included X-Ray studies, elemental analysis, IR spectroscopy, cyclic voltammetry and absorption/emission studies.