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Mainz 2017 – scientific programme

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MO: Fachverband Molekülphysik

MO 12: Posters 2: Molecular Dynamics, Clusters, and High Resolution Spectroscopy

MO 12.15: Poster

Wednesday, March 8, 2017, 17:00–19:00, P OG1

IR spectroscopy of cationic nickel ethanol clusters - variation of cluster size and solvation shell — •Daniel Bellaire, Markus Becherer, Fabian Dietrich, and Markus Gerhards — TU Kaiserslautern, Fachbereich Chemie and research center OPTIMAS, Erwin-Schroedinger-Straße 52, 67663 Kaiserslautern

Clusters containing transition metals and aliphatic ligands provide model systems regarding e.g. catalytical properties, magnetism, reactivity and structure. Furthermore, investigation of clusters may reveal potential cooperative effects.Thus, the successive variation of size and ligand number of the metal clusters can give a fundamental insight. The investigated nickel clusters are produced by applying laser ablation to a rotating metal rod and by attaching the ethanol ligand(s) in a supersonic beam. The frequencies and frequency shifts of OH stretching vibrations (between different clusters) are probed by means of IR-photofragmentation spectroscopy. An assignment of structure and spin states is performed by comparing the experimentally observed vibrational frequencies with the calculated values obtained from DFT calculations.

Specifically, cationic Nim(ethanol)n+ (m=2-4; n=1-3) clusters are spectroscopically investigated and explored by the aforementioned methods. The results give insight both into the structure and reactivity of the nickel aggregates.

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