Heidelberg 2015 – scientific programme

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MO: Fachverband Molekülphysik

MO 12: Photochemistry and Catalysis

MO 12.6: Talk

Wednesday, March 25, 2015, 12:30–12:45, PH/HS1

Alkali effect on bimetallic hydroamination catalysts the gasphase — •Johannes Lang, Patrick Di Martino-Fumo, Merve Cayir, Werner R. Thiel, and Gereon Niedner-Schatteburg — Fachbereich Chemie und Forschungszentrum OPTIMAS, Technische Universität Kaiserslautern, Germany

Electrospray ionization (ESI) in combination with tandem mass spectrometry is an established tool to investigate transition metal complexes[1] as well as alkali ion adducts[2] under isolated conditions in the gasphase. We investigated bimetallic hydroamination catalysts via ESI-MS of their alkali adducts in a Paul type ion trap. Using a multi-methods approach we characterized the stuctural changes of the catalysts upon coordination of the alkali ion as well as gradual changes of the structure and fragmentation behavior. We record Infrared Multiple Photon Dissociation (IRMPD) spectra and conduct density functional theory (B3LYP/cc pVDZ, RSC ECP) calculations. Collision Induced Dissociation (CID) studies reveal a gradual change of the fragmentation behavior in dependence of the alkali ion size. This is well understood under consideration of calculated binding energies. The alkali ion size plays a crucial role in the stabilization of the fragments, which leads to a change of the fragmentation behavior.

1. Nosenko, Y., et al., Physical Chemistry Chemical Physics, 2013. 15(21): p. 8171-8178.

2. Citir, M., et al., The Journal of Physical Chemistry A, 2012. 116(6): p. 1532-1541.