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Nuclear inelastic scattering studies on a dinuclear iron(II) spin crossover complex |
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| Authors: | Isabelle Faus Sergej Rackwitz Juliusz A Wolny Markus Schmitz Harald Kelm Hans-Jörg Krüger Kai Schlage Hans-Christian Wille Volker Schünemann |
| Institution: | 1. Department of Physics, University of Kaiserslautern, Erwin-Schr?dinger-Str. 46, 67663, Kaiserslautern, Germany 2. Department of Chemistry, University of Kaiserslautern, Erwin-Schr?dinger-Str. 54, 67663, Kaiserslautern, Germany 3. PETRA III, P01, DESY, Notkestra?e 85, 22607, Hamburg, Germany |
| Abstract: | The vibrational properties of the (high-spin)-(high-spin) and the (high-spin)- (low-spin) states of the dinuclear Fe(II) spin crossover complex{Fe(L-N4Me2)}2(BiBzIm)](ClO4)2·2EtCN1 have been studied by means of nuclear inelastic scattering. At a temperature of 80 K typical low spin marker bands are detected in the region around 400 cm?1, these bands almost completely disappear after increasing temperature to 190 K. Corresponding density functional theory calculations using the functional B3LYP* and the basis set CEP-31G reproduce the experimental data and thus allow a deeper understanding of the vibrational properties of dinuclear Fe(II) spin crossover complexes. |
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