Quasiclassical trajectory study of rotational energy transfer in the scattering of NH/sub 3/ from a flat, rigid gold surface
Quasiclassical trajectories are used to study rotational energy transfer in the collision of a rigid-rotor NH/sub 3/ molecule with a flat, rigid gold surface. The anisotropic term in the long-range attractive potential causes the NH/sub 3/ to preferentially reorient with its dipole moment normal to the surface plane as it approaches the surface. This reorientation decreases the rotational energy transfer and gives rise to a sharp rotational rainbow at zero rotational energy. Trajectory results predict that the molecule preferentially scatters into low K states (tumbling) rather than the J = K states (spinning). This prediction is in qualitative agreement with recent molecular beam/surface scattering experiments.
- Research Organization:
- Sandia National Laboratories, Albuquerque, New Mexico 87185
- OSTI ID:
- 7128508
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 89:1; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
Molecular & Chemical Physics-- Collision Phenomena
656003 -- Condensed Matter Physics-- Interactions between Beams & Condensed Matter-- (1987-)
74 ATOMIC AND MOLECULAR PHYSICS
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
AMMONIA
BEAMS
COLLISIONS
ELEMENTS
ENERGY LEVELS
ENERGY TRANSFER
EXCITED STATES
GOLD
HYDRIDES
HYDROGEN COMPOUNDS
METALS
MOLECULAR BEAMS
MOLECULE COLLISIONS
NITROGEN COMPOUNDS
NITROGEN HYDRIDES
ORIENTATION
ROTATIONAL STATES
SURFACES
TRANSITION ELEMENTS