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Chemical Research in Chinese Universities ›› 2012, Vol. 28 ›› Issue (5): 897-902 .

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Influence of Isotope Effects on Product Polarizations of N(2D)+D2, N(2D)+H2 and N(2D)+HD Reactive Systems

NIE Shan-shan1, CHU Tian-shu1,2   

  1. 1. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, P. R. China;
    2. Institute for Computational Sciences and Engineering, Laboratory of New Fiber Materials and Modern Textile, the Growing Base for State Key Laboratory, Qingdao University, Qingdao 266071, P. R. China
  • Received:2011-12-08 Revised:2011-12-29 Online:2012-09-25 Published:2012-09-07
  • Supported by:
    Supported by the National Natural Science Foundation of China(No.10874096).

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Abstract: To figure out the influence of isotope effect on product polarizations of the N(2D)+D2 reactive system and its isotope variants, quasi-classical trajectory(QCT) calculation was performed on Ho’s potential energy surface(PES) of 2A″ state. Product polarizations such as product distributions of P(θr), P(φr) and P(θr,φr), as well as the generalized polarization-dependent differential cross sections(PDDCSs) were discussed and compared in detail among the four product channels of the title reactions. Both the intermolecular and intramolecular isotope effects were proved to be influential on product polarizations.

Key words: Isotope effect, Product polarization, Quasi-classical trajectory calculation, Potential energy surface