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The Molecular and Electronic Structure of Symmetrically and Asymmetrically Coordinated, Non‐Heme Iron Complexes Containing [Fe III ( μ ‐N)Fe IV ] 4+ ( S =3/2) and [Fe IV ( μ ‐N)Fe IV ] 5+ ( S =0) Cores
Author(s) -
Jüstel Thomas,
Müller Michael,
Weyhermüller Thomas,
Kressl Claudia,
Bill Eckhard,
Hildebrandt Peter,
Lengen Marek,
Grodzicki Michael,
Trautwein Alfred X.,
Nuber Bernhard,
Wieghardt Karl
Publication year - 1999
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/(sici)1521-3765(19990201)5:2<793::aid-chem793>3.0.co;2-2
Subject(s) - delocalized electron , diamagnetism , ion , chemistry , crystallography , physics , magnetic field , quantum mechanics , organic chemistry
Either an S t =1/2 or an S t =3/2 ground state is found for complexes containing the [Fe( μ ‐N)Fe] 4+ core; the former contains two Fe 3.5 ions with delocalized valencies (class III) and the latter contains formally an Fe IV ( S =1) and an Fe III ( S =5/2) ion (class II) (see picture). In comparison, the electronic structures of the complexes containing the [Fe III ( μ ‐O)Fe III ] 4+ and [Fe IV ( μ ‐N)Fe IV ] 5+ cores with diamagnetic ground states are also investigated experimentally and theoretically. In all cases, the Fe–N b bonds display a significant degree of covalency.