1. 157 T internal magnetic field in Fe[C(SiMe3)3]2 compound at 20 K
- Author
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Ernő Kuzmann, Roland Szalay, László Szepes, Attila Vértes, Peter de Châtel, Zoltán Homonnay, and Imre Pápai
- Subjects
Nuclear and High Energy Physics ,education.field_of_study ,Spin states ,Field (physics) ,Trimethylsilyl ,Chemistry ,Population ,Analytical chemistry ,Electron ,Condensed Matter Physics ,Atomic and Molecular Physics, and Optics ,Magnetic field ,chemistry.chemical_compound ,Crystallography ,Mössbauer spectroscopy ,Physical and Theoretical Chemistry ,education ,Hyperfine structure - Abstract
Fe[C(SiMe3)3]2 compound, in which iron is coordinated by two carbons, was prepared using the reaction of FeCl2 with (Me3Si)3CLi, and investigated by XRD, 57Fe Mossbauer spectroscopy and DFT calculations. 157.5 T hyperfine magnetic field was found at the site of the iron nucleus of this compound at 20 K. DFT calculations predict the quintet states to be clearly favored energetically over the lower spin states. The population analysis reveals considerable 4s as well as large unpaired 3d electron contributions, which can be responsible for the extremely high hyperfine field.
- Published
- 2008
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