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SAMOP 2021 – scientific programme

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MO: Fachverband Molekülphysik

MO 1: Electronic

MO 1.4: Talk

Monday, September 20, 2021, 11:45–12:00, H2

Near-infrared spectrum of the first excited state of Au2+ — •Kai Mario Pollow, Marko Förstel, Taarna Studemund, and Otto Dopfer — Technische Universität Berlin, Berlin, Deutschland

We recently observed and published the optical spectrum of the gold dimer cation which resembles the simple H2+ molecule in its electronic configuration.[1] Due to the highly irregular spectral structure, multireference methods, spin-orbit coupling and relativistic corrections need to be taken into account to understand the PES of this seemingly simple dimer. By tagging with Ar we are able to investigate the otherwise not accessible 1st excited state in the near-infrared. Surprisingly, this state shows a regular vibronic structure that can be well reproduced by DFT calculations. In this talk we will present our experimental and computational results on the Au2+Ar system.

[1] Förstel et al., Angewandte Chemie Int. Ed. 123 48, 2020

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