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Energy resonance and inverse population of the product vibrational states for the reaction F + H 2 ( v = 0) → HF( v′ ) + H, LCAC‐SW theoretical quantum scattering study
Author(s) -
Cai ZhengTing,
Kang CongMin,
Feng DaCheng
Publication year - 2001
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.20010191105
Subject(s) - chemistry , atomic physics , resonance (particle physics) , inverse , scattering , potential energy surface , wave function , population , product (mathematics) , quantum , quantum mechanics , physics , molecule , geometry , mathematics , demography , organic chemistry , sociology
LCAC‐SW (linear combination of arrangement channel‐scattering wavefunction) method was used to calculate collinear state‐to‐state reaction probabilities for the reaction F + H 2 ( v = 0) → HF( v′ ) + H on the 6SEC potential energy surface. The results show that reaction probabilities P 02 and P 03 [ i. e., v′ = 2,3 for reaction F + H 2 ( v = 0) + HF( v′ ) + H] are primary, the population of product vibrational states is inverse and the reaction probabilities are oscillatory with collision energies, i.e ., there is energy resonance in this reaction, which agrees with a new experiment.