Combined experimental/theoretical investigation of the He+ICl interactions. I. Rovibronic spectrum of He⋯ICl complexes in the ICl B-X, 3-0 region

Anne B. McCoy; Joshua P. Darr; David S. Boucher; Paul R. Winter; Matthew D. Bradke; Richard A. Loomis

doi:10.1063/1.1636693

Combined experimental/theoretical investigation of the He+ICl interactions. I. Rovibronic spectrum of He⋯ICl complexes in the ICl B-X, 3-0 region

Anne B. McCoy, Joshua P. Darr, David S. Boucher, Paul R. Winter, Matthew D. Bradke, Richard A. Loomis

Research output: Contribution to journal › Article › peer-review

39 Scopus citations

Abstract

The transitions of two different stereoisomers of the HeICl(X,v″=0) weakly bound complexes were studied. One had a T-shaped orientation and another was most likely linear as observed by the laser-induced fluorescence experiments performed in the IClB-X region. The rovibronic spectra of the HeI ³⁵Cl complexes was calculated in the IClB-X, 2-0 and 3-0 regions using an ab initio potential energy surface for the He+ICl(X,v″=0)ground state. The results indicate that some of the spectral congestion observed near the linear band may be due to the transitions of the linear isomer to multiple intermolecular levels in the excited state.

Original language	English (US)
Pages (from-to)	2677-2685
Number of pages	9
Journal	Journal of Chemical Physics
Volume	120
Issue number	6
DOIs	https://doi.org/10.1063/1.1636693
State	Published - Feb 8 2004
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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Combined experimental/theoretical investigation of the He+ICl interactions. I. Rovibronic spectrum of He⋯ICl complexes in the ICl B-X, 3-0 region. / McCoy, Anne B.; Darr, Joshua P.; Boucher, David S.; Winter, Paul R.; Bradke, Matthew D.; Loomis, Richard A.

In: Journal of Chemical Physics, Vol. 120, No. 6, 08.02.2004, p. 2677-2685.

Research output: Contribution to journal › Article › peer-review

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abstract = "The transitions of two different stereoisomers of the HeICl(X,v″=0) weakly bound complexes were studied. One had a T-shaped orientation and another was most likely linear as observed by the laser-induced fluorescence experiments performed in the IClB-X region. The rovibronic spectra of the HeI 35Cl complexes was calculated in the IClB-X, 2-0 and 3-0 regions using an ab initio potential energy surface for the He+ICl(X,v″=0)ground state. The results indicate that some of the spectral congestion observed near the linear band may be due to the transitions of the linear isomer to multiple intermolecular levels in the excited state.",

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AU - Darr, Joshua P.

AU - Boucher, David S.

AU - Winter, Paul R.

AU - Bradke, Matthew D.

AU - Loomis, Richard A.

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