Dichlorogold(III) complexes of bis(1-methyl-2-imidazolyl)ketone and related ligands: Geometrical and electronic structures

被引：14

作者：

Bulak, Ece

Sarper, Orkan

Dogan, Akbey

Lissner, Falk

Schleid, Thomas

Kaim, Wolfgang

机构：

[1] Univ Stuttgart, Inst Anorgan Chem, D-70569 Stuttgart, Germany

[2] Bogazici Univ, Dept Chem, TR-34342 Istanbul, Turkey

来源：

POLYHEDRON | 2006年 / 25卷 / 13期

关键词：

chelate complexes; density functional calculations; imidazole ligands; gold complexes; reduction;

D O I：

10.1016/j.poly.2006.03.008

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The ligand bis(1-methyl-2-imidazolyl)ketone (bik) was studied by DFT with respect to the energy minimum conformation in the neutral and the anion radical state. The hitherto unknown crystal structure of bik is reported. X-ray diffraction studies of cationic dichlorogold(III) complexes with bik and the related bis(1-methyl-2-imidazolyl)methoxymethane and bis(1-methyl-2-imidazolyl)hydroxymethane ligands showed the DFT-supported N,N'-coordination to form six-membered chelate rings. The LUMO of [(bik)AuCl2](+) was calculated as Au-Cl centered in agreement with electrochemical and EPR results. (C) 2006 Elsevier Ltd. All rights reserved.

引用

页码：2577 / 2582

页数：6

共 35 条

[1] Synthesis and structure of Mn(II), Cu(II) and Zn(II) complexes containing bis-imidazole ligands [J].