Effect of Rotational Excitation on Stereodynamics for the Reactive Collision Between N( 2 D) and H 2
作者： Jie Cheng , Xian-Fang Yue , Hai-Ran Feng
DOI: 10.1088/0256-307X/29/4/043101
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摘要: Effect of rotational excitation on stereodynamics for the N(2D)+H2(v = 0, j 0–5)→NH(v', j')+H collision reactions is investigated by employing quasiclassical trajectory method. Based an accurate 12A'' potential energy surface, three angular distributions P(θr), P(r), P(θr, r), and polarized-dependent differential cross section are calculated at a 5.1 kcal/mol. It found that P(θr) distribution has distinct peak about θr 90°. The P(r) small r 270° no This implies product momentum j' not only aligned perpendicular to k, but also orientated negative direction y axis. alignment orientation become increasingly weaker with increase quantum number H2. Analysis propagation demonstrates title reaction dominant indirect insertion mechanism minor direct H-abstraction mechanism.
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