| Autor: |
Paul Martini, Harald Schöbel, Simon Albertini, Elham Ghavidel, Olof Echt, Arne Schiller, Milan Ončák, Paul Scheier |
| Rok vydání: |
2021 |
| Předmět: |
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| Zdroj: |
Theoretical Chemistry Accounts |
| ISSN: |
1432-881X |
| DOI: |
10.1007/s00214-021-02728-x |
| Popis: |
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 12Σu+state of HeRb2+gives rise to a broad feature at 790 nm (12,650 cm−1); it exhibits a blueshift of 98 cm−1per added He atom. The transition into the bound 12Πustate of HeRb2+reveals vibrational structure with a band head at ≤ 15,522 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−1per 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. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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