Synthesis, Structure, Fluorescence, and Theoretical Studies of CuCl(2,2′-Bipyridine)₂·3.5H₂O

Abstract

A cuprous compound CuCl(2,2 0 -bipyridine) 2 ¢3.5H 2 O (1) has been prepared through a hydrothermal reaction and structurally characterized by single crystal X-ray diffraction. The crystal structure analysis revealed that compound 1 is characterized by an isolated structure, based on CuCl(2,2 0 -bipyridine) 2 moieties and lattice water molecules. The Cu C ion coordinates to four nitrogen ions of two 2,2 0 -bipyridine molecules and one terminal chloride ion. Photoluminescent study displays that compound 1 has strong and broad emission bands, in combination with the molecular orbital (MO) calculation of 1, lead us to conclude that the emissions originate from ligand-to-ligand charge transfer (LLCT) transition.