Computational and Experimental Investigations of the Fe2(μ-S2)/Fe2(μ-S)2 Equilibrium.
Ontology highlight
ABSTRACT: Density functional theory (DFT) calculations on Fe2S2(CO)6-2n(PMe3)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 FeII2(S)2 and FeI2(S2) valence isomers is symmetry-forbidden. Related electron-rich diiron complexes [Fe2S2(CN)2(CO)4]2- of an uncertain structure are implicated in the biosynthesis of [FeFe]-hydrogenases. Several efforts to synthesize electron-rich derivatives of Fe2(μ-S2)(CO)6 (1) are described. First, salts of iron persu
SUBMITTER: Arrigoni F
PROVIDER: S-EPMC8100967 | biostudies-literature | 2021 Mar
REPOSITORIES: biostudies-literature
ACCESS DATA
