Effect of reagent rotation on the reaction D+H2(ν=1)→DH+H

Sathyamurthy, N. ; Toennies, J. P. (1988) Effect of reagent rotation on the reaction D+H2(ν=1)→DH+H Chemical Physics Letters, 143 (4). pp. 323-328. ISSN 0009-2614

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Official URL: http://www.sciencedirect.com/science/article/pii/0...

Related URL: http://dx.doi.org/10.1016/0009-2614(88)87040-4


Quasiclassical trajectory calculations using the Siegbahn-Liu-Truhlar-Horowitz potential-energy surface for the title reaction reveal that the reaction cross section initially decreases with reagent rotational excitation, reaches a minimum around Ji=4-6 and then increases dramatically up to Ji=12. The reasons for such a rotational effect and its effect on product energy and angular distributions and on the experimental determination of rate observables are discussed.

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Deposited On:16 Jun 2011 11:04
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