STRUCTURE AND STATE-ENERGY RELATIONSHIP OF PHOTO-EXCITED CU(I) COMPLEX
STRUCTURE AND STATE-ENERGY RELATIONSHIP OF PHOTO-EXCITED CU(I) COMPLEX
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DOI：
10.1246/bcsj.67.2435
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发表时间：
1994-09-01
影响因子：
4
通讯作者：
KAIZU, Y
中科院分区：
文献类型：
--
作者：
SHINOZAKI, K;KAIZU, Y
研究了激发态[Cu(I)(Dmphen)2]+(dmphen=2，9-二甲基-1，10-菲咯啉)的分子结构。随着dmphen配体间二面角的减小，固态铜(I)络合物的MLCT(金属-配体电荷转移)跃迁能和磷光寿命降低。DV-Xα分子轨道计算结果与光谱结果吻合较好。在溶液中，[Cu(I)(Phen)2]+(phen=1，10-邻菲咯啉)没有空间位阻的甲基阻碍平坦化运动的性质，这是由于光激发导致MLCT最低激发态的严重扭曲而导致的。
Excited [Cu(I)(dmphen)2]+ (dmphen=2,9-dimethyl-1,10-phenanthroline) was studied in terms of its molecular structure. The MLCT (metal-to-ligand charge-transfer) transition energy and phosphorescence lifetime of the copper(I) complex in the solid state were reduced with diminishing the dihedral angle between two dmphen ligands. The results of a DV-Xalpha molecular orbital calculation were in good agreement with the spectroscopic results. In solution, the non-luminous character of [Cu(I)(phen)2]+ (phen = 1,10-phenanthroline), which had no steric-hindered methyl groups retarding the flattening motion, was explained from lowering the lowest excited MLCT state due to a drastic distortion by the photoexcitation.