English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse
  1. View item / 
  2. Item Summary

Item

ITEM ACTIONSEXPORT
Add to Basket
  Local TagsRelease HistoryDetailsSummary

Released
Journal Article

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

MPS-Authors
/persons/resource/persons216801

Atanasov,  Mihail
Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

/persons/resource/persons216825

Neese,  Frank
Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

External Resource
No external resources are shared
Fulltext (restricted access)
There are currently no full texts shared for your IP range.
Fulltext (public)
There are no public fulltexts stored in PuRe
Supplementary Material (public)
There is no public supplementary material available
Citation

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 in English, 56(27), 7995-7999. doi:10.1002/anie.201702454.


Cite as: https://hdl.handle.net/21.11116/0000-0006-E1C1-1
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.