28–30 Sept 2026
Kaiserslautern
Europe/Berlin timezone

Synchrotron-based Mössbauer spectroscopy and density functional theory calculations of iridium(I) complexes with and without multimetallic bonding to fullerene

28 Sept 2026, 18:35
20m
Foyer (Building 42)

Foyer

Building 42

Poster Biophysics Postersession I

Speaker

Maren Hoock (RPTU Kaiserslautern-Landau)

Description

Iridium complexes have highly interesting photochemical, photophysical and catalytic properties. They are used for example in organic light-emitting diodes (OLEDs), organic solar cells and automotive exhaust catalysts.[1,2,3] Iridium complexes have also been used to initiate "water oxidation reactions“.[4,5] They also hold promise as photosensitisers and photocatalysts for directed photodynamic cancer therapy (PDT).[3,6] Recently nuclear forward scattering (NFS) on $^{193}$Ir at 73 keV has been established at beamline P01, PETRA III, DESY, Hamburg.[7] This technique can be regarded as Mössbauer spectroscopy in the time domain. We have applied $^{193}$Ir-NFS to yield information about the electronic properties of selected catalytically active Iridium complexes via the determination of Mössbauer parameters like isomer shift and quadrupole splitting . We have also performed Density Functional Theory (DFT) calculations to calculate the Mössbauer parameters of the complexes under investigation [8,9].

References
[1] Yang, C.-H., et al. Angew. Chem. 2007, 46(14), 2418-2421
[2] Dragonetti, C., et al. Inorg. Chim. Acta 2012, 388, 163
[3] M.L.P.Reddy, K.S.Bejoymohandas, J. Photochem. Photobiol. C: Photochem. Rev. 2016, 29, 29-47
[4] McDaniel, N.D., et al. J. Am. Chem. Soc. 2008, 130(1), 210-217
[5] Hull, J.F., et al. J. Am. Chem. Soc. 2009, 131(25), 8730-8731
[6] Day J. I. et al. Org. Process Res. Dev. 2016, 20(7), 1156-1163
[7] P.Alexejev et al., Sci. Rep. 2019, 9, 5097
[8] M.H.Hoock et al., Hyperfine Interact. 2023, 244, 24
[9] M.H.Hoock et al., Interact. 2026, 247, 51

Author

Maren Hoock (RPTU Kaiserslautern-Landau)

Co-authors

Alexander Haag (RPTU Kaiserslautern-Landau) Prof. Hans-Jörg Krüger (RPTU Kaiserslautern-Landau) Dr Ilya Sergeev (Deutsches Elektronen Synchrotron (DESY)) Jonathan Oltmanns (RPTU Kaiserslautern-Landau) Dr Juliusz A. Wolny (RPTU Kaiserslautern-Landau) Lukas Knauer (RPTU Kaiserslautern-Landau) Olaf Leupold (Deutsches Elektronen Synchrotron (DESY)) Dr Tim Hochdörffer (RPTU Kaiserslautern-Landau) Prof. Volker Schünemann (RPTU Kaiserslautern-Landau)

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