Excited states of lutetium oxide and its singly charged cation

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2022-02-22
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Gordon, Mark
Schoendorff, George
Zhang, Yuchen
Roudjane, Mourad
Gordon, Mark
Yang, Dong-Sheng
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AIP Publishing
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Chemistry
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Ames Laboratory
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ChemistryAmes Laboratory
Abstract
Vibronic spectra of lutetium oxide (LuO) seeded in supersonic molecule beams are investigated with mass-analyzed threshold ionization (MATI) spectroscopy and second-order multiconfigurational quasi-degenerate perturbation (MCQDPT2) theory. Six states of LuO and four states of LuO+ are located by the MCQDPT2 calculations, and an a3Π(LuO+) ← C2Σ+ (LuΟ) transition is observed by the MATI measurement. The vibronic spectra show abnormal vibrational intervals for both the neural and cation excited states, and the abnormality is attributed to vibrational perturbations induced by interactions with neighboring states.
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This article is published as Wu, Lu, George Schoendorff, Yuchen Zhang, Mourad Roudjane, Mark S. Gordon, and Dong-Sheng Yang. "Excited states of lutetium oxide and its singly charged cation." The Journal of Chemical Physics (2022). DOI: 10.1063/5.0084483. Copyright 2022 The Author(s). Works produced by employees of the U.S. Government as part of their official duties are not copyrighted within the U.S. The content of this document is not copyrighted.
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