Synthesis, structure, photoluminescence and theoretical studies of an In(III) complex with 2-(2′-hydroxylphenyl)benzoxazole
作者： Yi-Ping Tong , Yan-Wen Lin
DOI: 10.1016/J.ICA.2008.09.045
关键词:
摘要: Abstract The synthesis and characterization of [In(pbx)3] (1) (Hpbx = 2-(2′-hydroxylphenyl)benzoxazole) are presented. ground low lying excited electronic states in 1 studied using density functional theory level (DFT). optimized geometry is compared to the experimentally observed structure. Time-dependent (TDDFT) employed investigate singlet states. calculated energies considerable agreement with experimental data. All transitions categorized as π → π∗ ligand-to-ligand charge transfer (LLCT) nature. emissive state assigned a metal-perturbed transition (LLCT).
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