Quasiclassical trajectory studies of rigid rotor--rigid surface scattering. I. Flat surface

Journal Article · Wed Dec 01 04:00:00 EST 1982 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.443803· OSTI ID:6705890

Bowman, J M; Park, S C

Rotationally inelastic transition intensities are calculated for a model N/sub 2/ rigid rotor--rigid flat surface at initial collision energies of 104 and 3800 meV and for many initial beam orientations. The interaction potential is a Morse function modulated by a term which depends on the rotor orientation angle. The calculations are based on the quasiclassical trajectory method and a distorted trajectory perturbation theory. At the low collision energy the rotational excitation is mediated by the attractive part of the potential and by the repulsive part at high energies. The collision dynamics is direct in both energy regimes, however, quite complicated in the former one. Rotational rainbows are clearly observed for the high energy collisions.

• Research Organization: Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois 60616
• OSTI ID: 6705890
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 77:11; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640301* -- Atomic
Molecular & Chemical Physics-- Beams & their Reactions
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
BEAMS
COLLISIONS
ELEMENTS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITED STATES
MOLECULAR BEAMS
MOLECULE COLLISIONS
NITROGEN
NONMETALS
ROTATIONAL STATES
SURFACES