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Rates of chemical reactions dominated by long-range intermolecular forces
Abstract
Some simple theories are described for calculating rate constants for neutral chemical reactions in the gas phase which are dominated by long-range forces and have no barriers in the potential energy surface. The methods involve combining an adiabatic capture approach with the quantum mechanical sudden approximation of non-reactive energy transfer. A version of the technique is shown to work well in calculations on the O + OH reaction. The methods are applied to the diatom-diatom reactions SO + OH, NO + BrO, NO + ClO, CN + O2 and CH + O2. The results provide new information on the origin of the negative temperature dependence of the rate constants for reactions such as these.
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Cited by
Current Status of Transition-State Theory
Truhlar, D. G., Garrett, B. C., & Klippenstein, S. J. (1996) · The Journal of Physical Chemistry · doi:10.1021/jp953748q · Cited by 2,279
Ultracold Molecules under Control!
Quéméner, G., & Julienne, P. S. (2012) · Chemical Reviews · doi:10.1021/cr300092g · Cited by 406
Metadata
- Authors
- Clary, D. C.
- Venue
- Molecular Physics
- Publisher
- Informa UK Limited
- Published
- 1984-09
- Volume
- 53
- Issue
- 1
- Pages
- 3-21
- ISSN
- 0026-8976 (ISSN-L)
- 1362-3028
- OpenAlex
- W2077318362
- Cited by
- 194
- References
- 0
- FWCI
- 10.55
- Type
- journal article
- Language
- en
- Open access
- closed
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- Clary, D. C. (1984). Rates of chemical reactions dominated by long-range intermolecular forces. Molecular Physics. https://doi.org/10.1080/00268978400102101
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
