Electronic structure of a dinuclear ruthenium(II)-2,2’-bipyridine complex

Abstract

The dinuclear polypyridyl complex [{Ru(bipy)₂}₂(µ-L)](PF₆)₄, where bipy = 2,2'-bipyridine and L = 2,6-bis[(1,10-phenantroline-5-amine)methyl]pyridine, was prepared and characterized by UV-Vis and infrared spectroscopy. Geometry optimization revealed the possibility of three conformers, and time-dependent density functional theory calculations provided access to the correct excited state composition and unambiguous assignment of the characteristic metal-ligand charge transfer transitions.

Keywords:

• FTIR
• polypyridyl-complex
• ruthenium(II)
• TD-DFT
• UV-Vis

Acknowledgments

FSN thanks CNPq for research fellowship. RBC is grateful to UTFPR for the financial support.

Disclosure statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

This work was supported by Conselho Nacional de Desenvolvimento Científico e Tecnológico (Grant No. 302594/2022-1).