Synthesis, crystal structure, DFT and spectroscopic studies of mononuclear chromium(III) complex with bidentate ligand

被引：6

作者：

Gupta, Sushil K. ^{[2
]}

Anjana, Chanda ^{[2
]}

Sen, Neha ^{[2
]}

Butcher, Ray J. ^{[1
]}

Jasinski, Jerry P. ^{[3
]}

机构：

[1] Howard Univ, Dept Chem, Washington, DC 20059 USA

[2] Jiwaji Univ, Sch Studies Chem, Gwalior 474011, India

[3] Keene State Coll, Dept Chem, Keene, NH 03435 USA

来源：

POLYHEDRON | 2012年 / 43卷 / 01期

基金：

美国国家科学基金会;

关键词：

Synthesis; Chromium(III) complex; X-ray crystal structure; Density functional theory; Electronic absorption spectra; ESR spectra; Cyclic voltammetry; METAL-COMPLEXES; COBALT(II); CHEMISTRY; BINDING;

D O I：

10.1016/j.poly.2012.05.017

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The mononuclear neutral Cr(III) complex, [Cr(L)(3)] (1) (where LH = 4-methyl-2,6-dibenzoylphenol (mdbpH)) has been synthesized and characterized by elemental analysis, conductivity measurement, mass spectrometry. IR, electronic and ESR spectroscopy, cyclic voltammetry and X-ray crystallography. Crystal structure determination reveals that 1 comprises three monoanionic bidentate ligands (2,6-PhCO)(2)(4-Me) C6H2O- coordinating through phenolic O and benzoyl O atoms to give a mer-CrO3O3 octahedral configuration. The optimized geometry and the electronic transitions of the complex were calculated using methods based on the density functional theory. The ESR spectra indicate a weak tetragonal distortion. The redox behavior was studied by cyclic voltammetry and was compared with that observed for the free ligand. (c) 2012 Elsevier Ltd. All rights reserved.

引用

页码：8 / 14

页数：7

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