Theoretical study of the Cs exchange reaction rate constant of Cs + CsI CsI + Cs

Kobayashi, Takanori; Hashimoto, Masashi; Yokoyama, Keiichi  

To investigate the possibility of the Cs exchange reaction, we have analyzed the Cs-I-Cs triatomic molecule by using quantum chemistry calculation. Furthermore, by using the newly developed capture model, the Cs exchange reaction rate and its temperature dependence were estimated. 2-dimensional potential energy surface around CsI against Cs atom shows that the reaction has no entrance barrier. The reaction rate was found to be close to the collision rate and to have a little temperature dependence would be expected.