Effect of Reagent Vibrational and Rotational Excitation on the F+H2 Reaction: Theoretical Study of the Stereodynamics Using Quasi-Classical Trajectory Method
WANG Ping
Department of Electronic Engineering, Jinan Vocational College, Jinan 250103
Effect of Reagent Vibrational and Rotational Excitation on the F+H2 Reaction: Theoretical Study of the Stereodynamics Using Quasi-Classical Trajectory Method
WANG Ping
Department of Electronic Engineering, Jinan Vocational College, Jinan 250103
The vector correlations in the reaction F+H2 (v=0-3, j=0-3)→ HF(v',j')+H are investigated using the quasi-classical trajectory method on the Stark-Werner potential energy surface at a collision energy of 1.0 eV. The potential distribution P(θr)to angles between k and j', the distribution P(Ør) to dihedral angles, denoting k-k'-j' correlation and the polarization-dependent generalized differential cross sections, are calculated. The effect of reagent vibrational and rotational excitation on the F+H2 reaction is discussed in detail. The results suggest that the different vibrational and rotational quantum states of H2 have different influences on the product polarization.
The vector correlations in the reaction F+H2 (v=0-3, j=0-3)→ HF(v',j')+H are investigated using the quasi-classical trajectory method on the Stark-Werner potential energy surface at a collision energy of 1.0 eV. The potential distribution P(θr)to angles between k and j', the distribution P(Ør) to dihedral angles, denoting k-k'-j' correlation and the polarization-dependent generalized differential cross sections, are calculated. The effect of reagent vibrational and rotational excitation on the F+H2 reaction is discussed in detail. The results suggest that the different vibrational and rotational quantum states of H2 have different influences on the product polarization.
(General theories and models of atomic and molecular collisions and interactions (including statistical theories, transition state, stochastic and trajectory models, etc.))
WANG Ping. Effect of Reagent Vibrational and Rotational Excitation on the F+H2 Reaction: Theoretical Study of the Stereodynamics Using Quasi-Classical Trajectory Method[J]. 中国物理快报, 2010, 27(8): 83401-083401.
WANG Ping. Effect of Reagent Vibrational and Rotational Excitation on the F+H2 Reaction: Theoretical Study of the Stereodynamics Using Quasi-Classical Trajectory Method. Chin. Phys. Lett., 2010, 27(8): 83401-083401.
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2010, Vol. 27 
