Computational and Experimental Investigations of the Fe(2)(μ-S(2))/Fe(2)(μ-S)(2) Equilibrium

Density functional theory (DFT) calculations on Fe(2)S(2)(CO)(6−2n)(PMe(3))(2n) for n = 0, 1, and 2 reveal that the most electron-rich derivatives (n = 2) exist as diferrous disulfides lacking an S–S bond. The thermal interconversion of the Fe(II)(2)(S)(2) and Fe(I)(2)(S(2)) valence isomers is symme...

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Publicado en:Inorg Chem
Autores principales: Arrigoni, Federica, Zampella, Giuseppe, Zhang, Fanjun, Kagalwala, Husain N., Li, Qian-Li, Woods, Toby J., Rauchfuss, Thomas B.
Formato: Artigo
Lenguaje:Inglês
Publicado: 2021
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Article
Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC8100967/
https://ncbi.nlm.nih.gov/pubmed/33650855
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.inorgchem.0c03709
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