1,3-Bis(N-Methylbenzimidazol-2′-yl)-2-Phenylpropanedichloridocopper(II)

被引：4
作者：
Amaral, Pedro E. M. [1 ,2 ]
Zeller, Matthias [3 ]
Nozari, Mohammad [1 ]
Addison, Anthony W. [1 ]
机构：
[1] Drexel Univ, Dept Chem, 3141 Chestnut St, Philadelphia, PA 19104 USA
[2] Univ Fed ABC, Ctr Ciencias Nat & Humanas, Av Estados 5001, BR-09210580 Santo Andre, SP, Brazil
[3] Purdue Univ, Dept Chem, 560 Oval Dr, W Lafayette, IN 47907 USA
来源：
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 2022年 / 52卷 / 04期
关键词：
Copper(II); Benzimidazole; EPR spectroscopy; Optical spectrum; DFT; COPPER(II) COMPLEXES; CRYSTAL-STRUCTURES; BENZIMIDAZOLE; COORDINATION; COBALT(II); LIGANDS; REDOX;
D O I：
10.1007/s10870-021-00914-0
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The orange complex of copper(II) chloride with the bidentate ligand 1,3-bis(N-methylbenzimidazol-2'-yl)-2-phenylpropane crystallises in the orthorhombic space group P2(1)2(1)2(1). The CuN2Cl2 coordination core is of somewhat flattened tetrahedral geometry, with the ligand forming an eight-membered chelate ring. The complex's solid state rhombic EPR spectrum becomes more tetragonalised in solution. The g(parallel to) values for such CuN2Cl2 centres increase with increasing coordination core twist angle. The absorption spectrum displays visible-region bands which DFT calculations suggest are combinations of d-d, LMCT and MLCT components.
引用
收藏
页码：450 / 457
页数：8
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