Effect of rotation on the reactivity of the D+H2(ν=1)→DH+H system at translational energies 0.25, 0.35 and 0.45 eV

Departamento de Química Física, Facultad de Química, Universidad Complutense, 28040 Madrid, Spain; V.J. Herrero; Instituto de Estructura de la Materia (CSIC), Serrano, 123, 28006 Madrid, Spain; V. Sáez; Departamento de Química General y Bioquímica, ETS Ingenieros de Montes, Universidad Politécnica, 28040 Madrid, Spain
Chemical Physics Letters 01/1989; DOI: 10.1016/S0009-2614(89)87073-3

ABSTRACT Quasiclassical trajectory calculations for the D+H2(ν=1)→DH+H reaction have been carried out on the LSTH potential energy surface in the range of translational and rotational energies relevant to a recent molecular beam experiment. The effects of translational and rotational energy on the total and differential cross section as well as on the energy partition in the products are analyzed and discussed.