THRESHOLD IONIZATION SPECTROSCOPY AND SPIN-ORBIT COUPLING OF CeC3H4 and CeC3H6 FORMED in Ce + PROPENE REACTION

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https://hdl.handle.net/2142/104485

Title: THRESHOLD IONIZATION SPECTROSCOPY AND SPIN-ORBIT COUPLING OF CeC3H4 and CeC3H6 FORMED in Ce + PROPENE REACTION
Author(s): Zhang, Yuchen
Contributor(s): Yang, Dong-Sheng ; Cao, Wenjin
Issue Date: 2019-06-19
Keyword(s): Ions
Abstract: CeC$_{3}$H$_{4}$ and CeC$_{3}$H$_{6}$ are observed in the reaction of Ce with propene in molecular beams and characterized by mass-analyzed threshold ionization (MATI) spectroscopy and relativistic quantum calculations. The MATI spectrum of each species displays two band systems, each consisting of vibronic progressions from Ce-C stretching and ligand bending excitations in the ionic states. The adiabatic ionization energies of CeC$_{3}$H$_{4}$ and CeC$_{3}$H$_{6}$ are 41035 (5) and 41868 (5) \wn, respectively. The two band systems are separated by 125 \wn for CeC$_{3}$H$_{4}$ and 60 \wn for CeC$_{3}$H$_{6}$. By comparing the splittings from the spectra with the relativistic calculations at the level of multiconfiguration quasi-degenerate second-order perturbation theory, we assign the two band systems to transitions from two spin-orbit levels of the neutral molecules.
Publisher: International Symposium on Molecular Spectroscopy
Type of Resource: text
Language: English
Permalink: http://hdl.handle.net/2142/104485
DOI: 10.15278/isms.2019.WF09