1. Ruthenium–carbonyl complexes of 1-alkyl-2-(arylazo)imidazoles: Synthesis, structure, spectra and redox properties
- Author
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Mondal, T.K., Sarker, S.K., Raghavaiah, P., and Sinha, C.
- Subjects
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COMPLEX compounds , *RUTHENIUM compounds , *CARBONYL compounds , *ELECTROCHEMICAL analysis , *DENSITY functionals , *IMIDAZOLES , *OXIDATION-reduction reaction , *X-ray crystallography - Abstract
Abstract: trans-(Cl)-[Ru(CO)2Cl2(PaiR/TaiR)] compounds have been synthesized by reacting 1-alkyl-2-(phenylazo)imidazole (PaiR) or 1-alkyl-2-(p-tolylazo)imidazoles (TaiR) with [Ru(CO)2Cl2] n in methanol under refluxing conditions. The X-ray crystallographic study of trans-(Cl)-[Ru(CO)2Cl2(PaiEt)] (PaiEt=1-ethyl-2-(phenylazo)imidazole) shows a distorted octahedral geometry with a trans-Cl,Cl configuration. An intermolecular hydrogen bonded dimer serves as a motif in the supramolecular network with C–H⋯π and π⋯π interactions. The complexes show metal oxidation, Ru(III)/Ru(II); and reduction of the coordinated azo (–N) function. The molecular orbital diagram has been drawn by density functional theory (DFT) using an optimized geometry from the single crystal X-ray parameters. The electronic movement and assignment of electronic spectra have been carried out by TD-DFT calculations both in the gas and acetonitrile phase. [Copyright &y& Elsevier]
- Published
- 2008
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