Protonation of bridging sulfur in cubanoid Fe4S4 clusters causes large geometric changes: the theory of geometric and electronic structure.
Author:
Affiliation:
1. School of Chemistry
2. University of New South Wales
3. Sydney 2052
4. Australia
Abstract
Density functional calculations indicate that protonation of a μ3-S atom in cubanoid clusters [Fe4S4X4]2− leads to a large extension of one Fe–S(H) bond such that the SH ligand is doubly-bridging, μ-SH.
Publisher
Royal Society of Chemistry (RSC)
Subject
Inorganic Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2015/DT/C4DT03681F
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