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Dynamics of a Barrierless Reaction on a Two-dimensional Potential Surface in Solution

Poornimadevi, CS and Bagchi, B (1990) Dynamics of a Barrierless Reaction on a Two-dimensional Potential Surface in Solution. In: Chemical Physics Letters, 168 (3-4). pp. 276-282.

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Official URL: http://dx.doi.org/10.1016/0009-2614(90)85610-O


Numerical calculations on the dynamics of a barrierless reaction on a two-dimensional reaction potential surface is presented. We find that the second dimension can be rather important in the dynamics of a barrierless reaction. Especially, it can give rise to interesting dynamical behaviour such as the non-exponential decay of the population and a fractional viscosity dependence of the rate of non-radiative relaxation. One-dimensional behaviour is recovered not only when the frequency of one of the surfaces becomes much larger than that of the other, but also when the solvent friction along one dimension becomes very large. Thus, the concept of a reaction coordinate can be rather ambiguous in a multidimensional barrierless reaction.

Item Type: Journal Article
Publication: Chemical Physics Letters
Publisher: Elsevier Science
Additional Information: Copyright of this article belongs to Elsevier Science.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 12 Jul 2007
Last Modified: 25 Jan 2012 09:14
URI: http://eprints.iisc.ac.in/id/eprint/11534

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