Energy bands in reactive collisions. I. H+H$sub 2$ on the collinear SSMK surface

Journal Article · Sun Feb 01 04:00:00 EST 1976 · J. Chem. Phys., v. 64, no. 3, pp. 970-980

OSTI ID:4048878

Wright, J S; Tan, K G; Laidler, K J

The collision of H+H$sub 2$ on the collinear Shavitt, Stevens, Minn, and Karplus (SSMK) surface is studied for incident energies of 0--2 eV. By assuming a fixed zero-point energy for H$sub 2$, and systematically varying the incident energy of the atom and the vibrational phase angle of the molecule, the trajectories divide into a continuous series of reactive (R) and unreactive (U) bands. At the R--U boundary, trajectory times and product vibrational energies reach a maximum. From the bands, the reaction probability may be obtained with a high degree of precision. Band continuity is shown clearly by means of linear and polar plots. The reaction probabilities obtained from the band plots are discussed and compared to other quasiclassical and quantum-mechanical studies. (AIP)

• Research Organization: Department of Chemistry, Carleton University, Ottawa, Canada
• NSA Number: NSA-33-024351
• OSTI ID: 4048878
• Journal Information: J. Chem. Phys., v. 64, no. 3, pp. 970-980, Journal Name: J. Chem. Phys., v. 64, no. 3, pp. 970-980; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

*HYDROGEN-- ATOM-MOLECULE COLLISIONS
640304* --Physics Research--Atomic
Molecular & Chemical Physics--Collision Phenomena
CHEMICAL REACTION KINETICS
EV RANGE 01-10
INTERMOLECULAR FORCES
MILLI EV RANGE
N60200 --Physics (Atomic & Molecular)--Atomic & Molecular Properties
N60400* --Physics (Atomic & Molecular)--Collision Phenomena
POTENTIAL ENERGY