1072017-82-3Relevant academic research and scientific papers
Ruthenium-carbonyl complexes of 1-alkyl-2-(arylazo)imidazoles: Synthesis, structure, spectra and redox properties
Mondal,Sarker,Raghavaiah,Sinha
, p. 3020 - 3028 (2009/02/06)
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{double bond, long}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.
