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          Institute: MPI für bioanorganische Chemie     Collection: MPI für bioanorganische Chemie     Display Documents



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ID: 712923.0, MPI für bioanorganische Chemie / MPI für bioanorganische Chemie
A trans-1,2 End-On Disulfide-Bridged Iron-Tetracarbene Dimer and Its Electronic Structure
Authors:Meyer, Steffen; Krahe, Oliver; Kupper, Claudia; Klawitter, Iris; Demeshko, Serhiy; Bill, Eckhard; Neese, Frank; Meyer, Franc
Language:English
Date of Publication (YYYY-MM-DD):2015
Title of Journal:Inorganic Chemistry
Journal Abbrev.:Inorg. Chem.
Volume:54
Issue / Number:20
Start Page:9770
End Page:9776
Review Status:Internal review
Audience:Experts Only
Abstract / Description:A disulfide-bridged diiron complex with [Fe-S-S-Fe] core, which represents an isomer of the common biological [2Fe-2S] ferredoxin-type clusters, was synthesized using strongly sigma-donating macrocyclic tetracarbene capping ligands. Though the complex is quite labile in solution, single crystals were obtained, and the structure was elucidated by X-ray diffraction. The electron-rich iron-sulfur core is found to show rather unusual magnetic and electronic properties. Experimental data and density functional theory studies indicate extremely strong antiferromagnetic coupling (-J > 800 cm(-1)) between two low-spin iron(III) ions via the S-2(2-) bridge, and the intense near-IR absorption characteristic for the [Fe-S-S-Fe] core was assigned to a S -> Fe ligand-to-metal charge transfer transition.
Comment of the Author/Creator:Date: 2015, OCT 19 2015
External Publication Status:published
Document Type:Article
Version Comment:Automatic journal name synchronization
Communicated by:N. N.
Affiliations:MPI für bioanorganische Chemie
External Affiliations:[Meyer,S.; Kupper,C.; Klawitter,I.; Demeshko,S.; Meyer,F.] Univ.Göttingen, Inst.Anorgan.Chem., D-37077 Göttingen, Germany.
Identifiers:ISI:000363224000015 [ID No:1]
ISSN:0020-1669 [ID No:2]
DOI:10.1021/acs.inorgchem.5b01446 [ID No:3]
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