Excited states of lutetium oxide and its singly charged cation

Lu Wu, George Schoendorff, Yuchen Zhang, Mourad Roudjane, Mark S. Gordon, Dong Sheng Yang

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

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.

Original languageEnglish
Article number084303
JournalJournal of Chemical Physics
Volume156
Issue number8
DOIs
StatePublished - Feb 28 2022

Bibliographical note

Publisher Copyright:
© 2022 Author(s).

Funding

This material is based upon work supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, Chemical Physics Program, under Award No. DE-SC0021227 (D.-S.Y.). G.S. and M.S.G. were supported by the Department of Energy (Grant No. AL-20-380-066), administered by the Ames Laboratory, which is operated by Iowa State University under Contract No. DE-AC02-07CH11338.

FundersFunder number
Ames Laboratory Chemical Physics programDE-SC0021227
U.S. Department of Energy EPSCoRAL-20-380-066
DOE Basic Energy Sciences
Ames LaboratoryDE-AC02-07CH11338
Chemical Sciences, Geosciences, and Biosciences Division

    ASJC Scopus subject areas

    • General Physics and Astronomy
    • Physical and Theoretical Chemistry

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