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  • Title: Study of KrO- and KrO via slow photoelectron velocity-map imaging spectroscopy and ab initio calculations.
    Author: Garand E, Buchachenko AA, Yacovitch TI, Szcześniak MM, Chałasiński G, Neumark DM.
    Journal: J Phys Chem A; 2009 Dec 31; 113(52):14439-46. PubMed ID: 19569654.
    Abstract:
    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.
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