Coupled-channel calculations on energy transfer, photochemistry, and reactions of polyatomic molecules

Journal Article · Thu Mar 26 04:00:00 EST 1987 · J. Phys. Chem.; (United States)

DOI:https://doi.org/10.1021/j100291a011· OSTI ID:6631165

Clary, D C

It is now possible to do three-dimensional quantum scattering calculations on a wide variety of gas-phase collisional processes involving polyatomic molecules. The theories used involve a combination of coupled-channel methods with sudden approximations. This feature article gives a simple description of these theories, presents examples of their application, and compares the theoretical results with those obtained in a broad range of modern experiments. Processes discussed include the vibrational relaxation of CO/sub 2/, D/sub 2/CO, C/sub 2/H/sub 4/, C/sub 3/H/sub 6/, and C/sub 6/H/sub 4/F/sub 2/ by collision with he atoms, the photodissociation of CF/sub 3/I, the vibrational predissociation of (C/sub 2/H/sub 4/j)/sub 2/, and the chemical reactions H/sub 3//sup +/ + HCN and N/sup +/ + NH/sub 3/.

• Research Organization: Univ. Chemical Lab., Cambridge, England
• OSTI ID: 6631165
• Journal Information: J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 91:7; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
400500 -- Photochemistry
ALKANES
ALKENES
AMMONIA
AROMATICS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
BENZENE
BUTENES
CARBON COMPOUNDS
CARBON DIOXIDE
CARBON OXIDES
CATIONS
CHALCOGENIDES
CHARGED PARTICLES
CHEMICAL REACTIONS
COLLISIONS
COUPLED CHANNEL THEORY
CYANIDES
DATA
DECOMPOSITION
DEUTERIUM COMPOUNDS
ELEMENTS
ENERGY TRANSFER
ETHYLENE
FLUIDS
GASES
HELIUM
HYDRIDES
HYDROCARBONS
HYDROCYANIC ACID
HYDROGEN COMPOUNDS
INELASTIC SCATTERING
INFORMATION
INORGANIC ACIDS
IONS
MECHANICS
METHANE
MOLECULE COLLISIONS
NITROGEN COMPOUNDS
NITROGEN HYDRIDES
NONMETALS
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC FLUORINE COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
ORGANIC IODINE COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
PHOTOCHEMICAL REACTIONS
PHOTOLYSIS
PROPYLENE
QUANTUM MECHANICS
RARE GASES
SCATTERING
SUDDEN APPROXIMATION
THEORETICAL DATA
THREE-DIMENSIONAL CALCULATIONS