Quantum calculations on the collisions of nonlinear triatomic molecules with atoms: Vibrational excitation in He+SO/sub 2/(v/sub 1/v/sub 2/v/sub 3/)

Journal Article · Tue Sep 15 00:00:00 EDT 1981 · J. Chem. Phys.; (United States)

OSTI ID:5988365

Clary, D C

The combined vibrational close-coupling, rotational infinite-order sudden quantum technique is extended to the calculation of vibrational excitation cross sections for the three-dimensional collisions of atoms with nonlinear triatomic molecules. The method has been incorporated into a general computer program which should be applicable to many atom--nonlinear triatomic systems having realistic potential energy surfaces. Calculations on the He+SO/sub 2/(v/sub 1/v/sub 2/v/sub 3/) system are reported for four different potential energy surfaces. Various vibrational transition propensities are observed. The results are used to examine the validity of assumptions made by Siebert and Flynn on the dominant collision-induced energy transfer pathways contributing to the fluorescence rate of the v/sub 3/ mode of SO/sub 2/.

• Research Organization: Department of Chemistry, University of Manchester, Manchester, M13 9PL, United Kingdom
• OSTI ID: 5988365
• Journal Information: J. Chem. Phys.; (United States), Vol. 75:6
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
HELIUM
ATOM-MOLECULE COLLISIONS
SULFUR DIOXIDE
EXCITATION
SUDDEN APPROXIMATION
VIBRATIONAL STATES
ATOM COLLISIONS
CHALCOGENIDES
COLLISIONS
ELEMENTS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITED STATES
FLUIDS
GASES
MOLECULE COLLISIONS
NONMETALS
OXIDES
OXYGEN COMPOUNDS
RARE GASES
SULFUR COMPOUNDS
SULFUR OXIDES
640304* - Atomic
Molecular & Chemical Physics- Collision Phenomena