Open AccessStereodynamics study of O+ +H2 reaction and its isotopic variants
Author(s) -
Xinguo Liu,
Sun Hai-Zhu,
Huirong Liu,
Qinggang Zhang
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.59.7796
Subject(s) - diatomic molecule , molecule , atomic physics , physics , polarization (electrochemistry) , kinetic isotope effect , potential energy surface , chemistry , deuterium , quantum mechanics
The stereodynamics in the chemical reaction O+ +H2and its isotopic variants at a collision energy of 20 kcal /mol are investigated by using the quasi-classical trajectory (QCT) method on RODRIGO surface. The correlated k- j', k-k'-j' angular distributions, polarization-dependent differential cross sections (PDDCSs) and the product rotational alignment are discussed in detail. The calculations indicate that the stereodynamic properties of the reactions of O+ +H2→OH+ +H、O+ +DH→OD+ +H and O+ +TH→OT++H are sensitive to the mass factor and the repulsive energy of diatomic molecule.