Title of article :
Synthesis and spectroscopic characterization of novel oxido-bridged dinuclear rhenium(V) complex of 2-(aminomethyl)benzimidazole. X-ray crystal structures of [Re2O3Cl4(ambi)2]·CH3COCH3 and [Re2O3Cl4(ambi)2]·CH3CN
Author/Authors :
B. Machura، نويسنده , , M. Wolff، نويسنده , , E. Benoist، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2013
Abstract :
A novel oxidorhenium(V) complex with 2-(aminomethyl)benzimidazole has been synthesized and spectroscopically characterised. The crystal structures of its solvates [Re2O3Cl4(ambi)2]·CH3COCH3 and [Re2O3Cl4(ambi)2]·CH3CN have been determined. The experimental studies have been accompanied computationally by the density functional theory (DFT) and time-dependent DFT (TDDFT) calculations. The information about the Resingle bondO bond characteristics of [Re2O3Cl4(ambi)2] was obtained by NBO analysis.
Keywords :
DFT and TDDFT calculations , X-ray structure , UV–vis spectrum , Oxidorhenium(V) complexes
Journal title :
Inorganic Chemistry Communications
Journal title :
Inorganic Chemistry Communications