Energy dependence of forward scattering in the differential cross section of the H+D2→HD(v′=3,j′=0)+D reaction

• Published in: The Journal of chemical physics 2002-08, Vol.117 (6), p.2546-2556
• Main Authors: Aoiz, F. J., Bañares, L., Castillo, J. F., Sokolovski, D.
• Format: Article
• Language: English
• ISSN: 0021-9606; 1089-7690
• DOI: 10.1063/1.1490920

Extensive time-independent quantum mechanical scattering calculations for the H+D2(v=0,j=0) reaction have been performed in the collision energy range 1.39–2.20 eV on the Boothroyd–Keogh–Martin–Peterson potential energy surface. The theoretical differential cross sections (DCS) obtained for the H+D2→HD(v′=3,j′=0)+D channel of the reaction have been compared with recent measurements by Zare and co-workers over the collision energy range 1.39–1.85 eV using the photoloc technique [S. C. Althorpe et al., Nature (London) 416, 67 (2002)]. An excellent agreement between experiment and theory has been found for most of the collision energies studied. In particular, the appearance and evolution of forward scattering with collision energy observed experimentally has been quantitatively reproduced by the theoretical calculations. An analysis of the theoretical results, including a semiclassical complex angular momentum analysis, have been performed in order to ascertain the origin of the sharp forward peaks in the DCS.