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MO: Fachverband Molekülphysik
MO 29: Cluster and Nanoparticles II (joint session MO/A)
MO 29.1: Invited Talk
Friday, March 14, 2025, 11:00–11:30, HS XV
N2 activation by transition metal clusters — Max Luczak, Christopher Wiehn, Daniela Fries, Niels Wolfgramm, Christoph van Wüllen, and •Gereon Niedner-Schatteburg — Fachbereich Chemie, RPTU Kaiserslautern-Landau
Size selected transition metal (TM) cluster cations and anions attach N2 molecules under single collision cryo conditions, and they may or may not subsequently activate the adsorbates. Cryo kinetics and infrared spectra reveal details that serve to model the activation pathways by DFT calculations [1,2,3]. It shows that there is a quite general multi-step-pathway. Energetics vary by the particular TM but corresponding intermediates along the pathways seem quite similar amongst the investigated TMs. We aim to put these findings to the stage and present our current understanding for further discussions.
[1] Phys. Chem. Chem. Phys. 23, 11345 (2021); DOI: 10.1039/D0CP06208A
[2] J. Chem. Phys. 159, 164306 (2023); DOI: 10.1063/5.0157218
[3] J. Chem. Phys. 159, 164303 (2023); DOI: 10.1063/5.0157217
Keywords: Transition metal clusters; Kinetics; IR spectroscopy; DFT modelling; reactions