Quasiclassical trajectory studies of rigid rotor--rigid surface scattering. II. Corrugated surface

Journal Article · Thu Mar 01 04:00:00 EST 1984 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.446906· OSTI ID:5015094

Park, S C; Bowman, J M

The quasiclassical trajectory method, previously applied to rigid rotor--rigid flat surface scattering (J. M. Bowman and S. C. Park, J. Chem. Phys. 77, 5441 (1982)) is applied to a rigid rotor--rigid corrugated surface, i.e., a N/sub 2/--LiF(001), system. The mechanisms for rotational excitation at low and high collision energies are studied as well as their dependence on initial beam orientation and corrugation strength. A significant correlation between long-lived trajectories and high rotational excitation is found for low energy collisions and rotational rainbows are clearly observed in the high energy regime, although these features are broadened relative to the flat surface reported previously.

• Research Organization: Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois 60616
• OSTI ID: 5015094
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 80:5; 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
ALKALI METAL COMPOUNDS
BEAMS
COLLISIONS
ELEMENTS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITATION
EXCITED STATES
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
LITHIUM COMPOUNDS
LITHIUM FLUORIDES
LITHIUM HALIDES
MOLECULAR BEAMS
MOLECULE COLLISIONS
NITROGEN
NONMETALS
ROTATIONAL STATES
SURFACES