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Scrutinizing metal–ligand covalency and redox non-innocence via nitrogen K-edge X-ray absorption spectroscopy

Nitrogen K-edge X-ray absorption spectra (XAS) were obtained for 19 transition metal complexes bearing bipyridine, ethylenediamine, ammine, and nitride ligands. Time-dependent density functional theory (TDDFT) and DFT/restricted open configuration interaction singles (DFT/ROCIS) calculations were fo...

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Foilsithe in:Chem Sci
Main Authors: Lukens, James T., DiMucci, Ida M., Kurogi, Takashi, Mindiola, Daniel J., Lancaster, Kyle M.
Formáid: Artigo
Teanga:Inglês
Foilsithe: Royal Society of Chemistry 2019
Ábhair:
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC6530532/
https://ncbi.nlm.nih.gov/pubmed/31183055
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c8sc03350a
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