Trajectory studies of unimolecular processes. II. Dynamics of chloroacetylene dissociation

Abstract

Lifetime distributions for H–C≡C–Cl with respect to dissociation were determined at 200, 175, and 150 kcal/mole. Both random and nonrandom sampling techniques were used. An analysis of distributions of internal coordinate energies shows that vibrational energy redistribution is nearly complete within 4.5×10⁻¹³ sec. The results indicate that H–C≡C–Cl is an ’’intrinsic’’ RRKM molecule in the 200–150 kcal/mole energy domain.