2003 | OriginalPaper | Chapter
Substituent Effects on the Spin-Transition Temperature in Complexes with Tris(pyrazolyl) Ligands
Authors : Hauke Paulsen, Lars Duelund, Axel Zimmermann, Frédéric Averseng, Michael Gerdan, Heiner Winkler, Hans Toftlund, Alfred X. Trautwein
Published in: Molecular Magnets Recent Highlights
Publisher: Springer Vienna
Included in: Professional Book Archive
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Iron (II) complexes with substituted tris(pyrazolyl) ligands, which exhibit a thermally driven transition from a low-spin state at low temperatures to a high-spin state at elevated temperatures, have been studied by Mössbauer spectroscopy and magnetic susceptibility measurements. From the observed spectra the molar high-spin fraction and the transition temperature have been extracted. All substituents, except for bromine, lead to a decrease of the transition temperature. Density functional calculations have been carried out to compare the experimentally observed shifts of the transition temperature with those derived from theory.