Laser control of potential energy surface crossing in ion-molecule reactions application to Na+ + CH4

Abstract

Laser ion-molecule reaction interaction through dipole moments leads to potential energy sur-face crossings. We will show here by using gauge representation (electric field gauge) that we can induce laser promoted surface crossing in the region (2 a.u.) where the dipole moment changes sign. We illustrate such effects for the NaH + CH3+ ↔ Na+ + CH4 reaction which takes the form of inverted Morse potential (without a barrier) using ab initio methods for calculating the reaction path and the permanent dipole moment of this ion-molecule reaction.