NUMERICAL-SIMULATION OF THE ISOMERIZATION OF HCN BY 2 PERPENDICULAR INTENSE IR LASER-PULSES

Isomerization of HCN is studied numerically for a laser excitation con figuration of two perpendicular intense IR pulses, This scheme confine s the molecule to a plane and promotes proton transfer along the curve d reaction path. It is shown that internal rotation of the CN group en hances isomerization when compared to a fixed C=N orientation model. I somerization rates with rotation exceed those without rotation of the CN by about a factor of 3. Internal rotation also enhances. dissociati on and destroys phase control of the isomerization. It is found that a t intensities I similar to 10(13) W/cm(2), maximum isomerization occur s with negligible dissociation for a 2 ps pulse excitation. Maximum is omerization is also found for one field frequency resonant with the CH bend frequency omega(bend) and the other perpendicular frequency at 2 omega(bend). (C) 1996 American Institute of Physics.