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Dynamics of metal centers monitored by nuclear inelastic scattering
Authors:H. Paulsen  P. Wegner  H. Winkler  J. A. Wolny  L. H. Böttger  A. X. Trautwein  C. Schmidt  V. Schünemann  G. Barone  A. Silvestri  G. La Manna  A. I. Chumakov  I. Sergueev  R. Rüffer
Affiliation:1. Institut für Physik, Universit?t zu Lübeck, D-23538, Lübeck, Germany
2. Institut für Biochemie, Universit?t zu Lübeck, D-23538, Lübeck, Germany
3. Fachbereich Physik, Technische Universit?t Kaiserslautern, D-67663, Kaiserslautern, Germany
4. Dipartimento di Chimica Inorganica e Analitica, Universitá degli Studi di Palermo, I-90128, Palermo, Italy
5. Dipartimento di Chimica Fisica, Universitá degli Studi di Palermo, I-90128, Palermo, Italy
6. ESRF, F-38043, Grenoble Cedex 9, France
Abstract:Nuclear inelastic scattering of synchrotron radiation has been used now since 10 years as a tool for vibrational spectroscopy. This method has turned out especially useful in case of large molecules that contain a Mössbauer active metal center. Recent applications to iron–sulfur proteins, to iron(II) spin crossover complexes and to tin-DNA complexes are discussed. Special emphasis is given to the combination of nuclear inelastic scattering and density functional calculations.
Keywords:nuclear inelastic scattering  vibrational spectroscopy  iron–  sulfur proteins  spin crossover complexes  density functional theory calculations
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