S K-edge XAS and DFT Studies of High and Low Spin {FeNO}(7) Thiolate Complexes: Exchange Stabilization of Electron Delocalization in {FeNO}(7) and {FeO(2)}(8)

S K-edge XAS is a direct experimental probe of metal ion electronic structure as the pre-edge energy reflects its oxidation state, and the energy splitting pattern of the pre-edge transitions reflects its spin state. The combination of sulfur K-edge XAS and DFT calculations indicates that the electr...

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Auteurs principaux: Sun, Ning, Liu, Lei V., Dey, Abhishek, Villar-Acevedo, Gloria, Kovacs, Julie A., Darensbourg, Marcetta Y., Hodgson, Keith O., Hedman, Britt, Solomon, Edward I.
Format: Artigo
Langue:Inglês
Publié: 2010
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Article
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC3130116/
https://ncbi.nlm.nih.gov/pubmed/21158471
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ic1006378
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