ArticleJournal of the American Chemical Society2024
Metal-Ligand Covalency in the Valence Excited States of Metal Dithiolenes Revealed by S 1s3p Resonant Inelastic X-ray Scattering.
Article in Journal of the American Chemical Society, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Toward Accurate RIXS Spectra at Heavy Element Edges: A Relativistic Four-Component and Exact Two-Component TDDFT Approach.Journal of chemical theory and computation · 2026Article
- Metal-Assisted Deprotonation as a Key Step in Selective Copper Extraction: A Theoretical and Experimental Study.International journal of molecular sciences · 2025Article
- Combined X-Ray Emission Spectroscopy at Phosphorus and Nickel: Detecting Subtle Changes in Catalyst Electronic Structure at High Resolution.Small (Weinheim an der Bergstrasse, Germany) · 2025Article
- Molecular Design Principles for Photoactive Transition Metal Complexes: A Guide for "Photo-Motivated" Chemists.Journal of the American Chemical Society · 2025Review
- A Spectrochemical Series for Electron Spin Relaxation.Journal of the American Chemical Society · 2025Article
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Authors and funding
9 authors.
Funding
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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)
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