Rostock 2019 – wissenschaftliches Programm

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MS: Fachverband Massenspektrometrie

MS 3: Mass Spectrometry - Posters

MS 3.10: Poster

Dienstag, 12. März 2019, 16:30–18:15, S Fobau Physik

Investigation of formate and halide adducts on coinage metal phosphine complexes in isolation — •Björn Kwasigroch, Sebastian V. Kruppa, Michael Borchers, Christoph Riehn, and Gereon Niedner-Schatteburg — Fachbereich Chemie und Forschungszentrum OPTIMAS, TU Kaiserslautern, Erwin-Schrödinger-Str. 52, 67633 Kaiserslautern, Germany

Coinage metal complexes are of interest for potential application, e.g. in photocatalysis [1]. Here, we use the phosphine complexes [M₁M₂(L^Cy)₂]²⁺(M=Cu, Ag, Au, L^Cy=bis(dicyclohexyl-phosphino)methane) and his anionic adducts as a model system in order to investigate metallic d¹⁰-d¹⁰ interactions [2,3]. To this end, we utilized quadrupole ion trap tandem mass spectrometry. Formate adducts [M₁M₂(L^Cy)₂(CHOO)]⁺ were investigated via collision-induced dissociation (CID) and infrared multiphoton dissociation (IRMPD) spectroscopy in the C-O- and C-H-stretching region, supported by density functional theory (DFT) calculations. We observed branching ratios of CO₂/ CHOOH fragmentation in CID and a shift in the antisymmetric C-O- and C-H-stretching modes by IRMPD which depend on the coinage metal, respectively. The influence of halide anions X (Cl, Br, I) in [M₁M₂(L^Cy)₂X]⁺ complexes are explored systematically with respect to their CID fragmentation. We found metal/ halide dependent fragmentation pathways.

References: [1]V. W.-W. Yam et al., Chem. Rev. 2015, 115, 7589-7728; [2]S. V. Kruppa et al., Phys. Chem. Chem. Phys. 2017, 19, 22785-22800; [3]S. V. Kruppa et al, J. Phys. Chem. Lett. 2018, 9, 804-810.