THERMOCHEMISTRY OF POSSIBLE DEGRADATION PATHWAYS FOR COMPOUNDS CF3CHXY(X, Y = H, F, CL) USING AM1 AND MNDO SEMIEMPIRICAL METHODS

Heats of reaction for individual steps in various pathways for the oxidative degradation of two-carbon-containing CFC alternatives with the general formula CF3CHXY (X and Y = H, F, Cl) are evaluated from heats of formation calculated using the AMI and MNDO semiempirical MO methods. The implications for possible mechanism for degradation of these hydrochlorofluorocarbons or hydrofluorocarbons in the troposphere or in the stratosphere are discussed.