Structural and Electronic Complexities of a Sulfur-Bridged Di-Iron Complex Composed of Mono- and Di-Nitrosyl Units.

ABSTRACT: The delocalized, thermodynamically stable cation, [(N₂S₂)Fe(NO)•Fe(NO)₂]⁺, an adduct of mono-nitrosyl and dinitrosyl iron units, is analyzed to address the unusual stability of the sulfur-bridged diiron complex in its three overall redox levels, +, 0, and -. X-ray diffraction and myriad spectroscopic techniques probe products of sequential electron uptake in the corresponding neutral and anionic species. Conundrums include unified blueshifts of the overall 3-band, ν(NO), pattern with added electrons. One-electron reduction changes the anti-ferromagnetically coupled, S = 0, cationic diiron species to the neutral analog, S = ½, with unpaired spin mainly localized on the MNIU, which decreases its ∠Fe-N-O angle by 10 degrees in response to the extra

SUBMITTER: Sanfui S 

PROVIDER: S-EPMC12767009 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature