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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...
Shranjeno v:
| izdano v: | Chem Sci |
|---|---|
| Main Authors: | , , , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
Royal Society of Chemistry
2019
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| Teme: | |
| Online dostop: | 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 |
| Oznake: |
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