Open AccessInfluence of the collision energy and isotopic variant on the stereodynamics of reaction H+BrF→HBr+F
Author(s) -
许燕,
赵娟,
王军,
刘芳,
孟庆田
Publication year - 2010
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.59.3885
Subject(s) - exothermic reaction , polarization (electrochemistry) , kinetic isotope effect , collision , physics , atomic physics , isotope , product (mathematics) , chemistry , nuclear physics , thermodynamics , deuterium , geometry , computer security , mathematics , computer science
Quasi-classical trajectory calculations are carried out for the exothermic reaction H+BrF→HBr+F on the latest London-Eyring-Polanyi-Sato potential energy surface. The product angular distributions which reflect the vector correlation are calculated. Polarization dependent differential cross sections which are sensitive to many photoinitiated bimolecular reactions are presented in the center of mass frame. The calculated results suggest that the product rotational polarization becomes stronger as collision energy increases and the products were mainly backward scatteried. By comparing the product polarization of reactions D+BrF→DBr+F and H+BrF→HBr+F, the isotope effects have also been revealed.