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

doi:10.1063/1.1630559

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 publication › Journal article › Academic research › peer-review

25 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 language	English
Pages (from-to)	1292-1305
Number of pages	14
Journal	Journal of Chemical Physics
Volume	120
Issue number	3
DOIs	https://doi.org/10.1063/1.1630559
Publication status	Published - 15 Jan 2004

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

More information

10.1063/1.1630559

http://hdl.handle.net/10397/322

Cite this

@article{cb52f1fb55124bcdaddcf021f44e9f09,

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

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.",

author = "Mok, {Kam Wah} and Lee, {Edmond P F} and Chau, {Foo Tim} and Dyke, {John M.}",

year = "2004",

month = jan,

day = "15",

doi = "10.1063/1.1630559",

language = "English",

volume = "120",

pages = "1292--1305",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "3",

}

TY - JOUR

T1 - Franck-Condon simulation of the single vibronic level emission spectra of HSiF and DSiF including anharmonicity

AU - Mok, Kam Wah

AU - Lee, Edmond P F

AU - Chau, Foo Tim

AU - Dyke, John M.

PY - 2004/1/15

Y1 - 2004/1/15

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=1142279648&partnerID=8YFLogxK

U2 - 10.1063/1.1630559

DO - 10.1063/1.1630559

M3 - Journal article

SN - 0021-9606

VL - 120

SP - 1292

EP - 1305

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 3

ER -

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

Abstract

ASJC Scopus subject areas

More information

Other files and links

Fingerprint

Cite this