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 AM1 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.
ASJC Scopus subject areas
- Condensed Matter Physics
- Physical and Theoretical Chemistry