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Abstract
We have measured depletion spectra of the heteronuclear (85Rb87Rb+) dimer cation complexed with up to 10 He atoms. Two absorption bands are observed between 920 and 250 nm. The transition into the repulsive 12Sigmau+ state of HeRb2+ gives rise to a broad feature at 790 nm (12650 cm–1); it exhibits a blueshift of 98 cm–1 per added He atom. The transition into the bound 1 2Piu state of HeRb2+ reveals vibrational structure with a band head at < 15522 cm–1, a harmonic constant of 26 cm–1, and a spin-orbit splitting of < 183 cm–1. The band experiences an average redshift of –38 cm–1 per added He atom. Ab initio calculations rationalize the shape of the spectra and spectral shifts with respect to the number of helium atoms attached. For a higher number of solvating helium atoms, symmetric solvation on both ends of the Rb2+ ion is predicted.
Department
Physics
Publication Date
3-1-2021
Journal Title
Theoretical Chemistry Accounts
Language
English
Publisher
Springer
Digital Object Identifier (DOI)
Document Type
Article
Recommended Citation
S. Albertini, P. Martini, A. Schiller, H. Schöbel, E. Ghavidel, M. Ončák, O. Echt, and P. Scheier, Theor. Chem. Acc. 140 (2021) 29
Included in
Atomic, Molecular and Optical Physics Commons, Computational Chemistry Commons, Physical Chemistry Commons
Comments
Part of a collection: Festschrift in honour of Fernand Spiegelmann
This is an Open Access article published by Springer Nature in Theoretical Chemistry Accounts in 2021, available online: https://doi.org/10.1007/s00214-021-02728-x