MOLECULAR ROTATION AND ISOMERIZATION IN METHYL ISOCYANIDE

Trajectory calculations suggest that, at energies above twice the crit ical energy for reaction, molecular rotation and molecular vibration g enerally make equal contributions to the specific rate constant k(E) f or the unimolecular isomerization of CH3NC; an exception is for exceed ingly high values of the angular momentum (greater than or equal to 40 h). However, for unrandomized molecules, K rotational energy (i.e., pr opeller motion) is moderately inhibiting, but end-over-end rotation ha s no effect.