S K-edge XAS and DFT Calculations on Square Planar Ni(II)-thiolate Complexes: Effects of Active and Passive H-bonding

S K-edge XAS for a low-spin Ni(II)-thiolate complex shows a 0.2 eV shift to higher pre-edge energy but no change in Ni-S bond covalency upon H-bonding. This is different from the H-bonding effect we observed in high spin Fe(III)-thiolate complexes where there is a significant decrease in Fe-S bond c...

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Detalhes bibliográficos
Main Authors: Dey, Abhishek, Green, Kayla N., Jenkins, Roxanne M., Jeffrey, Stephen P., Darensbourg, Marcetta, Hodgson, Keith O., Hedman, Britt, Solomon, Edward I.
Formato: Artigo
Idioma:Inglês
Publicado em: 2007
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2536514/
https://ncbi.nlm.nih.gov/pubmed/17949080
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ic7006292
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