4.2 Article

Isotope effect of the stereodynamics for the reactions F plus HO→HF plus O and F plus DO→DF plus O

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IOP PUBLISHING LTD
DOI: 10.1088/0953-4075/42/16/165006

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资金

  1. National Natural Science Foundation of China [10574083]
  2. Natural Science Foundation of Shandong Province of China [Y2006A23]
  3. National Basic Research Program of China [2006CB806000]

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Based on the 1(3)A '' triplet state the product polarizations for the reactions F+HO-->HF+O and F+DO-->DF+O are studied by using the quasi-classical trajectory (QCT) method. The four generalized polarization-dependent differential cross-sections (PDDCSs) (2 pi/sigma)(d sigma(00)/d omega(t)), (2 pi/sigma)(d sigma(20)/d omega(t)), (2 pi/sigma)(d sigma(22+)/d omega(t)) and (2 pi/sigma)(d sigma(21-)/d omega t) have been calculated in the centre-of-mass frame. The distribution of the angle between k and j', P(theta(r)), the distribution of the dihedral angle denoting k - k' - j' correlation, P(fr), as well as the angular distribution of product rotational vectors in the form of polar plots P(theta(r),phi(r)) are calculated. The evident influence of isotope substitution on the product polarization is revealed. This effect may be derived from the different mass factor or the effective potential well depth in the two reactions.

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