Metal-Ligand Covalency in the Valence Excited States of Metal Dithiolenes Revealed by S 1s3p Resonant Inelastic X-ray Scattering.

ABSTRACT: Metallo dithiolene complexes with biological and catalytic relevance are well-known for having strong metal-ligand covalency, which dictates their valence electronic structures. We present the resonant sulfur Kβ (1s3p) X-ray emission spectroscopy (XES) for a series of Ni and Cu bis(dithiolene) complexes to reveal the ligand sulfur contributions to both the occupied and unoccupied valence orbitals. While S K-edge X-ray absorption spectroscopy played a critical role in identifying the covalency of the unoccupied orbitals of metal dithiolenes, the present focus on XES explores the occupied density of states. For a series of [Cu(mnt)₂]^n- and [Ni(mnt)₂]^n- anions and dianions, a comparison of the nonresonant and resonant S Kβ XES spectra

SUBMITTER: Larsen CB 

PROVIDER: S-EPMC11487610 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature