Mainz 2026 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 32: Molecular Spectroscopy III
MO 32.5: Vortrag
Freitag, 6. März 2026, 12:15–12:30, P 204
IR spectroscopy of metal complexes tailored by electron transfer reduction in an ion trap — •Philipp Weber1, Maximilian Emil Huber1, Jennifer Meyer1, Katja Heinze2, and Christoph Riehn1 — 1Fachbereich Chemie und Forschungszentrum OPTIMAS, Kaiserslautern, DE — 2Department of Chemistry, Johannes Gutenberg Universtät Mainz, DE
Understanding intrinsic structural properties of photocatalysts based on renewable 3d metal centers is of central importance when exploring their molecular design and reactivity in various environments [1,2]. Infrared multi-photon photodissociation spectroscopy (IRMPD) was conducted with the FELIX free electron laser on a set of differently charged, isolated Mn, Fe and Co complex species, containing the tridendate ligand dgpy (di-guanidyl-pyridine). This ligand accomodates a wide variety of metal species in different oxidation states, however, gas-phase reduction of tricationic [MnIII(dgpy)2]3+ produces a monocationic complex, which differs significantly in reactive and spectroscopic characteristics from its isoelectronic FeII and CoIII congeners, yielding fragmentation of the ligand backbone and structural distortion, leading to IR shifts in the characteristic N=C region. Comprehensive electronic structure calculations (DFT) give strong evidence that this behavior is not caused by a reduction of the metal center but alludes to a reduction of the pyridine moiety of the (here non-innocent) ligand. [1] M.Huber, J.Meyer J. Am. Soc. Mass Spectrom. 2024, 35, 11, 2642-2649 [2] N.East, K.Heinze Inorg. Chem. 2022, 61, 37, 14616-14625
Keywords: infrared spectroscopy; electrospray ionization mass spectrometry; action spectroscopy; laser spectroscopy; free electron laser