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Title:THRESHOLD IONIZATION AND SPIN-ORBIT COUPLING OF CERIUM MONOXIDE
Author(s):Cao, Wenjin
Contributor(s):Yang, Dong-Sheng; Wu, Lu; Zhang, Yuchen
Subject(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.
Issue Date:6/21/2017
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/96965
DOI:10.15278/isms.2017.WK06
Date Available in IDEALS:2017-07-27


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