Threshold ionization and spin-orbit coupling of cerium monoxide

Cao, Wenjin

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https://hdl.handle.net/2142/96965 Copy

Description

Title

Threshold ionization and spin-orbit coupling of cerium monoxide

Author(s)

Cao, Wenjin

Contributor(s)

• Yang, Dong-Sheng
• Wu, Lu
• Zhang, Yuchen

Issue Date

2017-06-21

Keyword(s)

Metal containing

Abstract

Cerium oxides are widely used in heterogeneous catalysis due to their ability to switch between different oxidation states. We report here the mass-analyzed threshold ionization (MATI) spectroscopy of cerium monoxide (CeO) produced by laser ablating a Ce rod in a molecular beam source. The MATI spectrum in the range of 40000-45000 wn exhibits several band systems with similar vibrational progressions. The strongest band is at 43015 (5) wn, which can be assigned as the adiabatic ionization energy of the neutral species. The spectrum also shows Ce-O stretching frequencies of 817 and 890 wn in the neutral and ion states, respectively. By comparing with spin-orbit coupled multireference quasi-degenerate perturbation theory (SO-MCQDPT) calculations, the observed band systems are assigned to transitions from various low-energy spin-orbit levels of the neutral oxide to the two lowest spin-orbit levels of the corresponding ion. The current work will also be compared with previous experimental and computational studies on the neutral species.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/96965

DOI

https://doi.org/10.15278/isms.2017.WK06

Copyright and License Information

Copyright 2017 Wenjin Cao

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