Revealing the bonding of solvated Ru complexes with valence-to-core resonant inelastic X-ray scattering.

ABSTRACT: Ru-complexes are widely studied because of their use in biological applications and photoconversion technologies. We reveal novel insights into the chemical bonding of a series of Ru(ii)- and Ru(iii)-complexes by leveraging recent advances in high-energy-resolution tender X-ray spectroscopy and theoretical calculations. We perform Ru 2p4d resonant inelastic X-ray scattering (RIXS) to probe the valence excitations in dilute solvated Ru-complexes. Combining these experiments with a newly developed theoretical approach based on time-dependent density functional theory, we assign the spectral features and quantify the metal-ligand bonding interactions. The valence-to-core RIXS features uniquely identify the metal-centered and charge transfer states and allow extracting the ligand-field splitti

SUBMITTER: Biasin E 

PROVIDER: S-EPMC8179428 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature