화학공학소재연구정보센터
Journal of Chemical Physics, Vol.117, No.6, 2546-2556, 2002
Energy dependence of forward scattering in the differential cross section of the H+D-2 -> HD(v'=3,j('')=0)+D reaction
Extensive time-independent quantum mechanical scattering calculations for the H+D-2(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+D-2-->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 , 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.(C) 2002 American Institute of Physics.