Excited states of lutetium oxide and its singly charged cation

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

doi:10.1063/5.0084483

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 journal › Article › peer-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 language	English
Article number	084303
Journal	Journal of Chemical Physics
Volume	156
Issue number	8
DOIs	https://doi.org/10.1063/5.0084483
State	Published - Feb 28 2022

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Publisher Copyright:
© 2022 Author(s).

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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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.",

author = "Lu Wu and George Schoendorff and Yuchen Zhang and Mourad Roudjane and Gordon, {Mark S.} and Yang, {Dong Sheng}",

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AU - Wu, Lu

AU - Schoendorff, George

AU - Zhang, Yuchen

AU - Roudjane, Mourad

AU - Gordon, Mark S.

AU - Yang, Dong Sheng

PY - 2022/2/28

Y1 - 2022/2/28

N2 - 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.

AB - 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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JO - Journal of Chemical Physics

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Excited states of lutetium oxide and its singly charged cation

Abstract

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