Dynamics of Metal Centers Monitored by Nuclear Inelastic Scattering
Hauke Paulsen, Patrick Wegner, Heiner Winkler, Juliusz Adam Wolny,, Lars H. B\"ottger, Alfred Xaver Trautwein, Christian Schmidt, Volker, Sch\"unemann, Giampaolo Barone, Arturo Silvestri, Gianfranco La Manna,, Aleksandr I. Chumakov, I. Sergueev, Rudolf R\"uffer
TL;DR
This paper reviews the use of nuclear inelastic scattering combined with density functional calculations to study vibrational properties of large molecules with Mössbauer active metal centers, highlighting recent applications to biologically and chemically relevant systems.
Contribution
It presents recent advances in applying nuclear inelastic scattering to complex molecules, emphasizing the integration with computational methods for detailed vibrational analysis.
Findings
Effective characterization of iron-sulfur proteins
Insights into spin crossover complex vibrations
Application to tin-DNA complexes
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 M\"ossbauer 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.
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