Femtosecond dynamics of transition states: the classical saddle-point barrier reactions

Klaus Braagaard Møller; Ahmed H. Zewail

doi:10.1016/S0009-2614(98)00927-0

Femtosecond dynamics of transition states: the classical saddle-point barrier reactions

Klaus Braagaard Møller, Ahmed H. Zewail

California Institute of Technology

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

In this Letter, we report molecular dynamics studies of the transition state (A + BC) of saddle-point barrier reactions. We compare the theoretical findings with direct experimental observation of reaction times and kinetic energy distributions for the IHgI system. The results account for the dynamics of two- and three-body recoil from the transition state to final products and elucidate the nature of concerted (symmetric) and non-concerted (asymmetric) motions of the nuclei. (C) 1998 Published by Elsevier Science B.V. All rights reserved.

Original language	English
Journal	Chemical Physics Letters
Volume	295
Issue number	1-2
Pages (from-to)	1-10
ISSN	0009-2614
DOIs	https://doi.org/10.1016/S0009-2614(98)00927-0
Publication status	Published - 1998
Externally published	Yes

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10.1016/S0009-2614(98)00927-0

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title = "Femtosecond dynamics of transition states: the classical saddle-point barrier reactions",

abstract = "In this Letter, we report molecular dynamics studies of the transition state (A + BC) of saddle-point barrier reactions. We compare the theoretical findings with direct experimental observation of reaction times and kinetic energy distributions for the IHgI system. The results account for the dynamics of two- and three-body recoil from the transition state to final products and elucidate the nature of concerted (symmetric) and non-concerted (asymmetric) motions of the nuclei. (C) 1998 Published by Elsevier Science B.V. All rights reserved. ",

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AU - Møller, Klaus Braagaard

AU - Zewail, Ahmed H.

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AB - In this Letter, we report molecular dynamics studies of the transition state (A + BC) of saddle-point barrier reactions. We compare the theoretical findings with direct experimental observation of reaction times and kinetic energy distributions for the IHgI system. The results account for the dynamics of two- and three-body recoil from the transition state to final products and elucidate the nature of concerted (symmetric) and non-concerted (asymmetric) motions of the nuclei. (C) 1998 Published by Elsevier Science B.V. All rights reserved.

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DO - 10.1016/S0009-2614(98)00927-0

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JO - Chemical Physics Letters

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Femtosecond dynamics of transition states: the classical saddle-point barrier reactions

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