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From Small Molecules to Complex Systems: A Survey of Chemical and Biological Applications of the Mössbauer Effect

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Modern Mössbauer Spectroscopy

Part of the book series: Topics in Applied Physics ((TAP,volume 137))

Abstract

Mössbauer spectroscopy and synchrotron based nuclear resonance scattering are ideal tools to investigate electronic and dynamic properties of iron centers in chemical and biological systems. These methods have reached a level of sophistication during the last decades so that it is now possible to hunt for particular functional active iron sites even in very complex systems like iron based heterogeneous catalysts or even in some cases in biological cells. This book chapter will try to give a comprehensive overview of what can be achieved by using experimental techniques using the Mössbauer effect when combining different evaluation strategies like e.g. relatively straight forward analysis using lorentzian lines or hyperfine field distributions and more sophisticated investigations of paramagnetic iron sites by means of the spin Hamiltonian formalism. In addition the possibilities of synchrotron techniques based on the Mössbauer effect like nuclear forward and nuclear inelastic scattering will be shown. Special emphasis lies also on the sample requirements and on theoretical methods like quantum chemical density functional theory which nowadays is also available coupled with molecular mechanic shells which enables the treatment of very large systems like iron proteins. In addition to laboratory-based Mössbauer spectroscopy recent progress using synchrotron based nuclear inelastic scattering (NIS) to detect iron based vibrational modes in iron proteins and chemical systems will be described. In combination with quantum mechanical calculations for example, the iron ligand modes of NO transporter proteins have been explored. Via NIS it has been possible to detect iron ligand modes in powders and single crystals, but also in thin solid films of iron(II) based spin crossover (SCO) compounds. In addition, nuclear forward scattering (NFS) has been applied to monitor the spin switch between the S = 0 and S = 2 state of SCO microstructures. Furthermore, recent work on polynuclear iron(II) SCO compounds, iron based catalysts as well as biological cells will be discussed.

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Acknowledgements

The experimental and theoretical work presented in this chapter has been performed by the members of the Biophysics and Medical Physics group at the Department of Physics at TU Kaiserslautern and the many collaborators of the group. Special thanks goes to Dr. H. Auerbach and Dr. A. Reinhardt for their support with the drawing of several figures. The author would like to thank Dr. J. A. Wolny for his continuing work in the field of SCO research and quantum chemical calculations. Several students contributed to the publications referenced in this chapter. In addition to Dr. H. Auerbach and Dr. A. Reinhardt mentioned already above, I want to name Dr. B. Moeser, Dr. A. Janoschka, Dr. S. Rackwitz, Dr. I. Faus and Dr. T. O. Bauer. On behalf of the many outstanding biochemists and chemists with whom the author has worked over the last two decades, special thanks are due to Prof. F. Ann Walker for her continuous support and guidance.

This work is dedicated in memoriam of two longtime companions. My academic teacher and mentor Prof. Dr. A. X. Trautwein as well as to one of his students with whom I had the pleasure to work with, Dr. P. Wegner, who passed away much too early.

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    Volker Schünemann

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    Yutaka Yoshida

  2. University of Leuven, Leuven, Belgium

    Guido Langouche

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Schünemann, V. (2021). From Small Molecules to Complex Systems: A Survey of Chemical and Biological Applications of the Mössbauer Effect. In: Yoshida, Y., Langouche, G. (eds) Modern Mössbauer Spectroscopy. Topics in Applied Physics, vol 137. Springer, Singapore. https://doi.org/10.1007/978-981-15-9422-9_4

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