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Kinetic isotope effect in hydrogen transfer arising from the effects of rotational excitation and occurrence of hydrogen tunneling in molecular systems

Journal of Chemical Physics, ISSN: 0021-9606, Vol: 121, Issue: 3, Page: 1171-1174
2004
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Article Description

The hydrogen kinetic isotope effect arised in O+HCl(DCl,TCl) reactions due to the effects of rotational excitations on the distribution of encounters with the critical dividing surface was discussed. At higher rotational excitations, the distributions were found to shift towards the regions of the critical dividing surface with low barrier energies. It was found that the effect depended on the hydrogen isotope involved in the reaction. Analysis suggested that in the condensed molecular systems reactions were enhanced by excitation of internal rotations and librations.

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