Isotope effect of quantum mechanical collinear He+H-2(+) reaction at energies below and above the dissociation threshold
被引:7
作者:
Sakimoto, K
论文数: 0引用数: 0
h-index: 0
机构:Institute of Space and Astronautical Science, Yoshinodai
Sakimoto, K
机构:
[1] Institute of Space and Astronautical Science, Yoshinodai
来源:
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS
|
1997年
/
93卷
/
05期
关键词:
D O I:
10.1039/a604770j
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
Accurate time-independent quantum mechanical calculations have been carried out for collinear He + XH(+), HX(+), X(2)(+) (X = Mu, H, D, T) collisions on a realistic potential-energy surface at total energies of 1-6 eV. The present paper provides an entire view of the reaction features over a wide range of energies both below and above the dissociation threshold. At energies below the dissociation threshold, the resonance structure seen in the exchange reaction is studied for the isotope combinations mentioned above. At energies above the dissociation threshold, the effect of isotope variations on the competition between the exchange and dissociation reactions is discussed.