Potential energy functions of the X̃2B1, Ã2B2, B̃2A1, and C̃2A2states of Cl2O+and the X̃1A1state of Cl2O: Franck-Condon simulations of photoelectron bands of Cl2O which include anharmonicity

Foo Tim Chau, John M. Dyke, Edmond P.F. Lee, Kam Wah Mok

Research output: Journal article publicationJournal articleAcademic researchpeer-review

10 Citations (Scopus)

Abstract

The four PE bands, which appear in the He I PE spectrum of Cl2O were simulated by combining ab initio calculations with FC calculations. Simulations of the first, second, and fourth bands agree well with the experimental envelope. For the third PE band, an AIE value of 12.30±0.06 eV was recommended.
Original languageEnglish
Pages (from-to)4025-4036
Number of pages12
JournalJournal of Chemical Physics
Volume118
Issue number9
DOIs
Publication statusPublished - 1 Mar 2003

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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