Synthesis, molecular and electronic structures of half-sandwich ruthenium(II) complexes with 2,2′-bis(4,5-dimethylimidazolyl) and 4,5-diphenylimidazole ligands

Abstract

In this study, [(C₆H₆)RuCl(DMDIm)]Cl and [(C₆H₆)RuCl₂(4,5-Ph₂Im)] have been prepared and studied by infrared, NMR, UV-Vis spectroscopy, and X-ray crystallography. The complexes were prepared in reactions of [(C₆H₆)RuCl₂]₂ with 2,2′-bis(4,5-dimethylimidazolyl) and 4,5-diphenylimidazole in methanol. The electronic structure and UV-Vis spectrum of the obtained compounds have been calculated using the TD-DFT method.

Keywords:

• Ruthenium benzene complexes
• 2,2′-Bis(4,5-dimethylimidazolyl)
• 4,5-Diphenylimidazole
• X-ray structure
• UV-Vis
• DFT
• TD-DFT