1226894-07-0Relevant academic research and scientific papers
Arylazoimidazole-W(0)-carbonyl complexes: Synthesis, characterization, electrochemistry, photophysical studies and correlation with DFT computed data
Datta, Papia,Sinha, Chittaranjan
, p. 1204 - 1211 (2010/03/29)
Reaction of W(CO)6 and l-alkyl-2-(arylazo)imidazoles (RaaiR./) yields tetracarbonyl complexes of the composition, [W(CO)4(RaaiR/)]. The complexes have been characterized by different spectroscopic methods (FT-IR, UV-Vis,1H-NMR and mass spectrometry). Electrochemistry of the complexes shows oxidation of tungsten, W(0) → W(+l) at potential 0.70-1.00 V. Geometry of representative complexes in each group of ligand optimized by DFT calculations, shows that the HOMO is composed of W (>60%) and CO (>30%) orbitals while LUMO is carrying only azoimidazole characteristics (>75%). [W(CO)4(l-methyl-2- (phenylazo)imidazoles)] shows lowest energy in the series. The complexes exhibit emission at room temperature, with [W(CO)4(l-alkyl-2-(naphthyl- βl-azo)imidazole, β-NaiR)] showing higher quantum yield (φ = 0.50-0.63) than others.
