Theory of laser catalyzed reactions. I. Potential surfaces and transition dipoles in the Li + HCl reaction

Moshe Shapiro; Yehuda Zeiri

doi:10.1063/1.451474

Theory of laser catalyzed reactions. I. Potential surfaces and transition dipoles in the Li + HCl reaction

Moshe Shapiro, Yehuda Zeiri

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35 Scopus citations

Abstract

Potential surfaces and electronic transition dipoles for the Li + HCl→LiCl + H reaction are calculated using a semiempirical valence bond (SEVB) approach. Enhancement of the transition dipole when the colliders are close together is predicted and explained. We argue that this fact and our finding that the second excited electronic state is weakly binding, would make laser catalysis of this and similar alkali + hydrogen-halide reactions, possible. In particular, irradiation in the 32 000-36 000 cm^-1 range is predicted to preferentially enhance the Li + HCl reaction.

Original language	English
Pages (from-to)	6449-6454
Number of pages	6
Journal	Journal of Chemical Physics
Volume	85
Issue number	11
DOIs	https://doi.org/10.1063/1.451474
State	Published - 1 Jan 1986
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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abstract = "Potential surfaces and electronic transition dipoles for the Li + HCl→LiCl + H reaction are calculated using a semiempirical valence bond (SEVB) approach. Enhancement of the transition dipole when the colliders are close together is predicted and explained. We argue that this fact and our finding that the second excited electronic state is weakly binding, would make laser catalysis of this and similar alkali + hydrogen-halide reactions, possible. In particular, irradiation in the 32 000-36 000 cm-1 range is predicted to preferentially enhance the Li + HCl reaction.",

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year = "1986",

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AU - Zeiri, Yehuda

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N2 - Potential surfaces and electronic transition dipoles for the Li + HCl→LiCl + H reaction are calculated using a semiempirical valence bond (SEVB) approach. Enhancement of the transition dipole when the colliders are close together is predicted and explained. We argue that this fact and our finding that the second excited electronic state is weakly binding, would make laser catalysis of this and similar alkali + hydrogen-halide reactions, possible. In particular, irradiation in the 32 000-36 000 cm-1 range is predicted to preferentially enhance the Li + HCl reaction.

AB - Potential surfaces and electronic transition dipoles for the Li + HCl→LiCl + H reaction are calculated using a semiempirical valence bond (SEVB) approach. Enhancement of the transition dipole when the colliders are close together is predicted and explained. We argue that this fact and our finding that the second excited electronic state is weakly binding, would make laser catalysis of this and similar alkali + hydrogen-halide reactions, possible. In particular, irradiation in the 32 000-36 000 cm-1 range is predicted to preferentially enhance the Li + HCl reaction.

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Theory of laser catalyzed reactions. I. Potential surfaces and transition dipoles in the Li + HCl reaction

Abstract

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