Mainz 2017 – scientific programme

Parts | Days | Selection | Search | Updates | Downloads | Help

MO: Fachverband Molekülphysik

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

MO 12.18: Poster

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

Infrared spectroscopic investigations of N₂ adsorbed to cold Rhodium Iron alloy cluster cations — •Matthias Klein, Amelie Ehrhard, Sebastian Dillinger, Jennifer Mohrbach, and Gereon Niedner-Schatteburg — Fachbereich Chemie and Forschungszentrum OPTIMAS, TU Kaiserslautern, 67663 Kaiserslautern, Germany

We investigated the N₂ adsorption behavior of bimetallic Rhodium-Iron cluster cations ([Rh_lFe_n(N₂)_m]⁺), l = n = 3 - 8 and m = 1 - 10, and their geometric structures by means of InfraRed PhotoDissociation (IRPD) spectroscopy in comparison with DFT modelling. For l = n = 3 and 4 DFT suggests alloy structures, in case of l = n = 4 of high (D_2d) symmetry: N₂ adsorption and IRPD studies find strong evidence for preferential adsorption to Rh sites and mere secondary adsorption to Fe. The spectroscopic findings are well interpreted for the smaller clusters in terms of the computed structures, while the many details in the spectra of the larger clusters are subject of ongoing work.