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  Electronic Structure and Magnetic Anisotropy of an Unsaturated Cyclopentadienyl Iron(I) Complex with 15 Valence Electrons

Chakraborty, U., Demeshko, S., Meyer, F., Rebreyend, C., de Bruin, B., Atanasov, M., et al. (2017). Electronic Structure and Magnetic Anisotropy of an Unsaturated Cyclopentadienyl Iron(I) Complex with 15 Valence Electrons. Angewandte Chemie International Edition, 56(27), 7995-7999. doi:10.1002/anie.201702454.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0007-7130-3 Version Permalink: http://hdl.handle.net/21.11116/0000-0007-7131-2
Genre: Journal Article

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 Creators:
Chakraborty, Uttam1, Author
Demeshko, Serhiy2, Author
Meyer, Franc2, Author
Rebreyend, Christophe3, Author
de Bruin, Bas3, Author
Atanasov, Mihail4, Author              
Neese, Frank4, Author              
Mühldorf, Bernd1, Author
Wolf, Robert1, Author
Affiliations:
1Institute of Inorganic Chemistry, University of Regensburg, 93040 Regensburg, Germany, ou_persistent22              
2Institute of Inorganic Chemistry, University of Goettingen, 37077 Göttingen, Germany, ou_persistent22              
3Van't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH Amsterdam, The Netherlands, ou_persistent22              
4Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society, ou_3023886              

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Free keywords: carbene ligands; cyclopentadienyl ligands; homogeneous catalysis; iron; magnetic properties
 Abstract: The 15 valence‐electron iron(I) complex [CpArFe(IiPr2Me2)] (1, CpAr=C5(C6H4‐4‐Et)5; IiPr2Me2=1,3‐diisopropyl‐4,5‐dimethylimidazolin‐2‐ylidene) was synthesized in high yield from the FeII precursor [CpArFe(μ‐Br)]2. 57Fe Mössbauer 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 Ueff=64 cm−1. Moreover, 1 catalyzes the dehydrogenation of N,N‐dimethylamine–borane, affording tetramethyl‐1,3‐diaza‐2,4‐diboretane under mild conditions.

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Language(s): eng - English
 Dates: 2017-05-302017-06-26
 Publication Status: Published in print
 Pages: 5
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/anie.201702454
 Degree: -

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Title: Angewandte Chemie International Edition
  Abbreviation : Angew. Chem., Int. Ed.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: 56 (27) Sequence Number: - Start / End Page: 7995 - 7999 Identifier: ISSN: 1433-7851
CoNE: https://pure.mpg.de/cone/journals/resource/1433-7851