Authors: Shengxian Xu Jinglan Wang Feng Zhao Hongying Xia Yibo Wang
Publish Date: 2015/11/20
Volume: 21, Issue: 12, Pages: 313-
Abstract
Two copperI complexes CuPyzPhen2PF6 1 and CuPOPPyzPhenPF6 2 PyzPhen = pyrazino23f 1 10phenanthroline POP = bis2diphenylphosphinophenylether have been synthesized and characterized The photophysical properties of these complexes in solution have been studied The electronic absorption spectrum of complexes 1 exhibit the lowestlying MLCT absorption band at 459 nm and highenergy ligandbased transitions at 275 nm while that of complex 2 exhibits the MLCT/LLCT band at 400 nm and ligand ππ band at 262 nm In addition both 1 and 2 show similar phosphorescence 3MLCT/3LLCT emissions with maximum emission wavelengths of 569 and 572 nm respectively Density functional theory DFT and timedependent density functional theory TDDFT were employed to rationalize the photophysical properties of the complexes studied The theoretical data confirm the assignment of the experimental absorption spectra and the nature of the emitting statesThe authors acknowledge financial support by the National Natural Science Foundation of China No21462020 21443010 and 21563013 and Jiangxi Science and Technology Normal University Key Laboratory of Organicinorganic Composite Materials Key training base They thank the Guizhou University High Performance Computation Chemistry Laboratory GHPCC for help with computational studies
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