MNDO SCF-MO calculations of kinetic isotope effects for dehydrochlorination reactions of chloroalkanes
Abstract
Calculations of 1H/2H, 12C/13C, and 35Cl/37Cl kinetic isotope effects using the MNDO SCF-MO method suggest that the transition states for the gas-phase dehydrochlorination of chloroalkanes differ significantly from some previously suggested models.