Franck-Condon simulation of the single vibronic level emission spectra of HSiF and DSiF including anharmonicity

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

Research output: Journal article publicationJournal articleAcademic researchpeer-review

22 Citations (Scopus)

Abstract

The inclusion of anharmonicity in the theoretical method of FC simulation which has significant effects on the simulated SVL emission spectra of CF2,5and some band sin the photoelectron spectra of F2O and Cl2O. Theoretically, the inclusion of anharmonicity should impove the reliability of the simulated spectra, and generally, simulated spectra including anharmonicity match better with observed spectra than those obtained within the harmonicity oscillator model, as expected.
Original languageEnglish
Pages (from-to)1292-1305
Number of pages14
JournalJournal of Chemical Physics
Volume120
Issue number3
DOIs
Publication statusPublished - 15 Jan 2004

ASJC Scopus subject areas

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

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