SAMOP 2021 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 1: Electronic

MO 1.4: Vortrag

Montag, 20. September 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