Reactivity bands in atom--molecule collisions. II. X+HX on the collinear SSMK surface. [Total reactivity maps, probability, threshold energies, skewed coordinate axes, single and multiple collisions]

Journal Article · Sat Jan 01 04:00:00 EST 1977 · J. Chem. Phys.; (United States)

OSTI ID:7238406

Wright, J S; Tan, K G

The collision of X+HX on the collinear SSMK surface is studied by classical trajectory calculations for masses X=1.008(H), 2.014(D), 3.016(T), and 10.000. Total reactivity maps are given as plots of vibrational phase angle versus relative kinetic energy (range 0.3--2.0 eV). A clear relationship between the maps for different mass combinations is shown. The total reaction probability for T+HT and 10+H-10 shows a range of kinetic energy above the threshold where all trajectories are unreactive, followed by reactive ranges at higher energy. Threshold energies and reactivity maps are discussed in terms of skewed coordinate axes. Product vibrational energy distributions show patterns which are closely related to the total reactivities. The results are interpreted in terms of single and multiple collisions. (AIP)

• Research Organization: Department of Chemistry, Carleton University, Ottawa, Canada
• OSTI ID: 7238406
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 66:1; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
CHEMICAL REACTION KINETICS
COLLISIONS
ENERGY
ENERGY LEVELS
ENERGY SPECTRA
EXCITED STATES
KINETIC ENERGY
KINETICS
MOLECULE COLLISIONS
MULTIPLE SCATTERING
REACTION KINETICS
SCATTERING
SPECTRA
VIBRATIONAL STATES