V. Bernshtein et I. Oref, MINIMAL SEPARATION DISTANCE IN ENERGY TRANSFERRING COLLISIONS - TRAJECTORY CALCULATIONS, Chemical physics letters, 233(1-2), 1995, pp. 173-178
Classical trajectory calculations of toluene-Ar collisions were perfor
med. The energy transferred in up, down and all collisions is reported
as a function of the minimal distance, MD, of approach between the Ar
atom and the nearest atom to it in the toluene molecule. There is a d
istribution of MD at which energy transfer takes place and most energy
transfer occurs in the range 0.29-0.35 nm. Increasing the temperature
shifts the average to lower values. The collision duration and the MD
are independent. The average MD is 0.308 nm at 300 K and 0.299 nm at
1500 K. Supercollisions were found but no correlation could be made be
tween their duration and their MD.