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

doi:10.1063/1.1554271

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 publication › Journal article › Academic research › peer-review

11 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 language	English
Pages (from-to)	4025-4036
Number of pages	12
Journal	Journal of Chemical Physics
Volume	118
Issue number	9
DOIs	https://doi.org/10.1063/1.1554271
Publication status	Published - 1 Mar 2003

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

More information

10.1063/1.1554271

http://hdl.handle.net/10397/30537

Cite this

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title = "Potential energy functions of the {\~X}2B1, {\~A}2B2, {\~B}2A1, and {\~C}2A2states of Cl2O+and the {\~X}1A1state of Cl2O: Franck-Condon simulations of photoelectron bands of Cl2O which include anharmonicity",

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.",

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publisher = "American Institute of Physics",

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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. / Chau, Foo Tim; Dyke, John M.; Lee, Edmond P.F. et al.
In: Journal of Chemical Physics, Vol. 118, No. 9, 01.03.2003, p. 4025-4036.

Research output: Journal article publication › Journal article › Academic research › peer-review

TY - JOUR

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AU - Dyke, John M.

AU - Lee, Edmond P.F.

AU - Mok, Kam Wah

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AB - 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.

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DO - 10.1063/1.1554271

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JF - Journal of Chemical Physics

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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

Abstract

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