화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals, Vol.605, No.1, 187-196, 2014
Synthesis, Crystal Structure, Theoretical Study, and Luminescence Property of a Copper(I) Complex with Dipyrido[3,2-f:2',3'-h]-quinoxaline
The new copper(I) complex [CuCN(Dpq)(PPh3)] (1) (where Dpq = dipyrido[3,2-f:2 ',3 '-h]-quinoxaline, PPh3 = triphenylphosphine) has been synthesized and characterized by elemental analysis, Infrared spectroscopy, X-ray single crystal analysis, thermogravimetric, and fluorescent analysis. Single crystal X-ray diffraction analysis reveals that complex 1 display a favorable pairwise pi-pi stacking. Density functional theory and time-dependent density functional theory calculations at the B3LYP/LanL2DZf+6-31G* level were performed on complex 1 to rationalize its experimental absorption spectra. Fluorescent analysis reveals that complex 1 exhibit intense luminescence in dimethylfomamide solution at room temperature.