Advanced Search
    Yu Huagen, Xu Sulan. Dynamics of the He+He2+(v=0) Exchange Reaction on a New Potential Energy Surface for Ground-State He3+[J]. Chinese Journal of Chemical Physics , 1992, 5(4): 257-263.
    Citation: Yu Huagen, Xu Sulan. Dynamics of the He+He2+(v=0) Exchange Reaction on a New Potential Energy Surface for Ground-State He3+[J]. Chinese Journal of Chemical Physics , 1992, 5(4): 257-263.

    Dynamics of the He+He2+v=0) Exchange Reaction on a New Potential Energy Surface for Ground-State He3+

    • A many-body expansion analytical function has been derived by fitting to CI results calculated by Ackermann et al(Mol. Phys. 68, 279(1989)). The optimum function gives a standard deviation to data points of 0.05 eV. The surface as a triangular graph shows a linear symmetrical minimum with a distance of Re=2.3251 Bohr as well as a T-shaped metasta-ble molecule, which are in good agreement with the CI study. According to this function, a quasiclassical trajectory study of the thermoneutral helium exchange reaction was made. Reactive cross sections have been obtained at 220,270 and 320K. From the 320K results a rate constant has been obtained of 4.26×1013cm3∙s-1∙mole-1.
    • loading

    Catalog

      /

      DownLoad:  Full-Size Img  PowerPoint
      Return
      Return