Cross-correlation trajectory study of vibrational relaxation of DF(v = 1 to 7) by DF(v = 0) and of HF by HF
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), Journal Name: J. Chem. Phys.; (United States) Vol. 76:5; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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Cross-correlation trajectory study of vibrational relaxation of HF (v=1--7) by HF (v=0)
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Related Subjects
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
COLLISIONS
DEUTERIUM
ENERGY LEVELS
ENERGY TRANSFER
EXCITED STATES
HYDROFLUORIC ACID
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
INORGANIC ACIDS
ISOTOPE EFFECTS
ISOTOPES
KINETICS
LIGHT NUCLEI
MOLECULE COLLISIONS
MOLECULE-MOLECULE COLLISIONS
NUCLEI
ODD-ODD NUCLEI
RELAXATION
STABLE ISOTOPES
VIBRATIONAL STATES