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Title: Excited states of lutetium oxide and its singly charged cation

Journal Article · · Journal of Chemical Physics
DOI: https://doi.org/10.1063/5.0084483 · OSTI ID:1856823
 [1]; ORCiD logo [2];  [1];  [1]; ORCiD logo [3]; ORCiD logo [1]
  1. Univ. of Kentucky, Lexington, KY (United States)
  2. Iowa State Univ., Ames, IA (United States); Air Force Research Lab. (AFRL), Edwards AFB, CA (United States)
  3. Iowa State Univ., Ames, IA (United States)
+ Show Author Affiliations

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. Finally, 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.

Research Organization:
Ames Laboratory (AMES), Ames, IA (United States); Univ. of Kentucky, Lexington, KY (United States)
Sponsoring Organization:
USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
Grant/Contract Number:
AC02-07CH11358; SC0021227
OSTI ID:
1856823
Report Number(s):
IS-J 10,750
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 8 Vol. 156; ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Mass spectrometry
ab initio configuration interaction
chemical elements
electronic configuration
lanthanides
lasers
mass-analyzed threshold ionization spectroscopy
oxides
vibronic spectroscopy