Warning: We observe an increase of emails from fake travel portals like . "travelhosting.co.uk". We never send links to such portals so be vigilant!

17–19 Sept 2018
Fakultät für Maschinenwesen der Technischen Universität München
Europe/Berlin timezone

Nuclear inelastic scattering for identification of iron ligand modes in dinitrosyl iron complexes and nitrogenase single crystals

17 Sept 2018, 16:30
1h 30m
Fakultät für Maschinenwesen der Technischen Universität München

Fakultät für Maschinenwesen der Technischen Universität München

Boltzmannstraße 15 85748 Garching b. München
Poster P3 Structure and dynamics in life sciences Poster session 1

Speaker

Ms Christina S. Müller (Department of Physics, Technische Universitaet Kaiserslautern)

Description

Vibrational iron ligand modes of 57Fe labelled complexes can be accessed via synchrotron based nuclear inelastic scattering (NIS). First results of NIS experiments performed in October 2017 at PETRA III, DESY are presented and compared to simulations of the experimental partial density of vibrational states (pDOS). The influence of protonation on the vibrational properties of a dinitrosyl iron complex (DNIC) has been investigated. DNICs are a product of the reaction of the messenger molecule NO with iron sulfur clusters and their reactivity might depend on the protonation state. The density functional theory based simulations confirm the experimentally observed distinct differences between the two protonation states and reproduce the intense features in the pDOS energy region > 500 cm-1 typical for Fe-NO vibrations [1]. Moreover orientation dependent NIS experiments on CO-free and CO-inhibited 57Fe enriched nitrogenase single crystals have been performed. Despite the low signal to noise ratio, slight but significant orientation dependent differences are observed for low energy modes < 100 cm-1 as well as in the region of characteristic Fe-CO modes above 460 cm-1 [2].

References
[1] A. L. Speelman et. al., Inorg. Chem., 2016, 55, 5485.
[2] A. D. Scott et. al., J. Am. Chem. Soc., 2014, 136, 15942.

Primary author

Ms Christina S. Müller (Department of Physics, Technische Universitaet Kaiserslautern)

Co-authors

Ms Christine Schiewer (Department of Chemistry, Universitaet Goettingen) Mr Christian Trncik (Department of Biochemistry, Universitaet Freiburg) Dr Juliusz A. Wolny (Department of Physics, Technische Universitaet Kaiserslautern) Ms Lena Scherthan (Department of Physics, Technische Universitaet Kaiserslautern) Mr Andreas Omlor (Department of Physics, Technische Universitaet Kaiserslautern) Mr Sakshath Sadashivaiah (Department of Physics, Technische Universitaet Kaiserslautern) Ms Larissa Heimann (Department of Physics, Technische Universitaet Kaiserslautern) Ilya Sergeev (Deutsches Elektronen-Synchrotron Hamburg) Mr Olaf Leupold (Deutsches Elektronen-Synchrotron Hamburg) Dr Hans Christian Wille (Deutsches Elektronen-Synchrotron Hamburg) Prof. Oliver Einsle (Department of Biochemistry, Universitaet Freiburg) Prof. Franc Meyer (Department of Chemistry, Universitaet Goettingen) Prof. Volker Schünemann (Department of Physics, Universitaet Kaiserslautern)

Presentation materials

There are no materials yet.