The D$^+$ + H$_2$ Reaction: Differential and Integral Cross Sections at Low Energy and Rate Constants at Low Temperature

Tomas Gonzalez Lezana (1) , Yohann Scribano (2, 3) , Pascal Honvault (4, 5)

1 IFF - Instituto de Física Fundamental [Madrid]
2 LUPM - Laboratoire Univers et Particules de Montpellier
3 Astrophysique Stellaire
4 ICB - Laboratoire Interdisciplinaire Carnot de Bourgogne
5 SMPCA

The D+ + H2 reaction is investigated by means of a time independent quantum mechanical (TIQM) and statistical quantum mechanical (SQM) methods. Differential cross sections and product rotational distributions obtained with these two theoretical approaches for collision energies between 1 meV and 0.1 eV are compared to analyze the dynamics of the process. The agreement observed between the TIQM differential cross sections and the SQM predictions as the energy increases revealed the role played by the complex-forming mechanism. The importance of a good description of the asymptotic regions is also investigated by calculating rate constants for the title reaction at low temperature.

Mots clés: quantum dynamics; statistical method; low temperature reactive rate constant

Domaines: Physique Quantique [quant-ph]

Tomas Gonzalez Lezana, Yohann Scribano, Pascal Honvault. The D$^+$ + H$_2$ Reaction: Differential and Integral Cross Sections at Low Energy and Rate Constants at Low Temperature. The Journal of physical chemistry, 2014, pp.ASAP. ⟨10.1021/jp501446y⟩. ⟨hal-01002038⟩