Study of KrO- and KrO via slow photoelectron velocity-map imaging spectroscopy and ab initio calculations.
The high-resolution photoelectron spectrum of KrO(-) was obtained using slow electron velocity-map imaging (SEVI). The SEVI spectrum reveals numerous vibronic transitions between multiple electronic states of KrO(-) and KrO, both of which are open-shell species. Detailed assignments are made by comparison with theoretical simulations based on high level ab initio calculations and an atoms-in-molecule model that accounts for spin-orbit coupling in the anion and neutral. Several KrO(-) and KrO vibrational frequencies and excited-state term energies are accurately determined from the analysis of the experimental spectra and are found to be in good agreement with the calculated values.
Garand
Etienne
E
Department of Chemistry, University of California-Berkeley, Berkeley, California 94720, USA.
Buchachenko
Alexei A
AA
Yacovitch
Tara I
TI
Szcześniak
Małgorzata M
MM
Chałasiński
Grzegorz
G
Neumark
Daniel M
DM