The dynamics of the C(1D)+H2/D2/HD reactions at low temperature.

Abstract

We present results of a theoretical investigation on the dynamics of the C(1D)+H2 reaction and the corresponding isotopic variants in which the carbon atom collides either with D2 or HD. Statistical techniques have been tested in comparison with the recent experimental information at low temperature (T < 300 K) and exact quantum mechanical calculations reported on the title reactions in an attempt to establish their possible complex-forming character. Our study includes the calculation of probabilities, rotational distributions, integral cross sections, differential cross sections, and rate constants. Previous quantum mechanical results have been extended here to complete the analysis of the underlying mechanisms which govern the collision process.