Cross-correlation trajectory study of vibrational relaxation of DF(v = 1 to 7) by DF(v = 0) and of HF by HF

Journal Article · Mon Mar 01 00:00:00 EST 1982 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.443265· OSTI ID:5671187

Coltrin, M E; Marcus, R A

Three-dimensional quasiclassical trajectories and a cross-correlation method of analysis are used to study the vibrational relaxation of DF(v/sub 1/ = 1 to 7) by DF(v/sub 2/ = 0). Rate constants are calculated for V--V and V--R, T energy transfer. As was seen in earlier studies on HF--HF, the V--R, T mechanism becomes increasingly important at higher initial v/sub 1/, as the V--V transfer moves further off resonance and also becomes increasingly endothermic. Both factors contribute to the decrease of V--V transfer rates with increasing v/sub 1/ for the higher values of v/sub 1/. Comparisons are made with results of a classical path study of vibrational relaxation in DF--DF and with experiment where possible. New results on the HF--HF V--V transfer rates are presented.

• Research Organization: Sandia National Laboratories, Albuquerque, New Mexico 87185
• OSTI ID: 5671187
• Journal Information: J. Chem. Phys.; (United States), Vol. 76:5
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
HYDROFLUORIC ACID
MOLECULE-MOLECULE COLLISIONS
DEUTERIUM
ENERGY TRANSFER
ISOTOPE EFFECTS
KINETICS
RELAXATION
VIBRATIONAL STATES
COLLISIONS
ENERGY LEVELS
EXCITED STATES
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
INORGANIC ACIDS
ISOTOPES
LIGHT NUCLEI
MOLECULE COLLISIONS
NUCLEI
ODD-ODD NUCLEI
STABLE ISOTOPES
640304* - Atomic
Molecular & Chemical Physics- Collision Phenomena