Transition-state spectroscopy of Cl+Na-2 ->[NaNaCl](double dagger)*-> NaCl+Na*. Theoretical model

摘要

The quasiclassical trajectory method has been used to investigate emission spectra from the transition state of the reaction Cl + Na-2 --> [ClNaNa]double dagger* --> NaCl + Na* (3 P-2) based on the LEPS potential energy function. By comparing the computed results for different collision energies, one can conclude that it is favorable to observe the transition-state emission spectra at low collision energy. (C) 1998 Elsevier Science B.V. [References: 29]