Laser Induced Potential Energy Surface Crossing in Ion-Molecule Reactions: Application to Li++CH4

Abstract

Abstract Laser ion-molecule reaction interaction through long range dipole moments leads to potential energy surface crossings. We will show here by using gauge representation (electric field gauge) for wave length λ = 20.6 μm, Intensity I = 5×1012 W/cm2, I = 1×1013 W/cm2, I = 3×1013 W/cm2, that we can create laser induced potential energy surface crossing in the virtual transition state region (4.a.u.) where the dipole moment changes sign. We illustrate such effects for the Li H + CH3 + ↔ Li+ + CH4 reaction which takes the form of inverted Morse (without a barrier) using ab-initio methods for calculating the reaction path and the permanent dipole moment of this ion-molecule reaction.