Chakraborty, Uttam and Demeshko, Serhiy and Meyer, Franc and Rebreyend, Christophe and de Bruin, Bas and Atanasov, Mihail and Neese, Frank and Muehldorf, Bernd and Wolf, Robert (2017) Electronic Structure and Magnetic Anisotropy of an Unsaturated Cyclopentadienyl Iron( I) Complex with 15 Valence Electrons. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 56 (27). pp. 7995-7999. ISSN 1433-7851, 1521-3773
Full text not available from this repository. (Request a copy)Abstract
The 15 valence-electron iron(I) complex [(CpFe)-Fe-Ar-(IiPr(2)Me(2))] (1, Cp-Ar = C-5(C6H4-4-Et)(5); IiPr(2)Me(2) = 1,3-diiso-propyl-4,5-dimethylimidazolin-2-ylidene) was synthesized in high yield from the Fe-II precursor [(CpFe)-Fe-Ar(mu-Br)](2). Fe-57 Mossbauer and EPR spectroscopic data, magnetic measurements, and ab initio ligand-field calculations indicate an S=3/2 ground state with a large negative zero-field splitting. As a consequence, 1 features magnetic anisotropy with an effective spin-reversal barrier of U-eff=64 cm(-1). Moreover, 1 catalyzes the dehydrogenation of N, N-dimethylamine-borane, affording tetramethyl-1,3-diaza-2,4-diboretane under mild conditions.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | JAHN-TELLER DISTORTION; SINGLE-MOLECULE MAGNET; HIGH-SPIN IRON(II); AMMONIA-BORANE; LINEAR IRON(I); ROOM-TEMPERATURE; AMIDO COMPLEXES; DEHYDROGENATION; SPECTROSCOPY; RELAXATION; carbene ligands; cyclopentadienyl ligands; homogeneous catalysis; iron; magnetic properties |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 14 Dec 2018 13:10 |
| Last Modified: | 11 Feb 2019 13:11 |
| URI: | https://pred.uni-regensburg.de/id/eprint/675 |
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