Chlorofluorocarbons have been of much interest due to their non-toxic, non-flammable, and thermal stability properties. Although these properties have been of much important the discovery of chlorofluorocarbons aid in ozone depletion has led to the limited use of these compounds in industry. As an alternative hydrofluorocarbons (HFCs) have been produced as an alternative to these compounds. Accurately determining thermochemical properties of organofluorine compounds such as HFCs is critical due to the role of chlorofluorocarbons (CFCs) in the breakdown of ozone. These energetic properties are used in chemistry-climate models in order to understand and predict anthropogenic effects on future climate trends. Enthalpies of formation have been determined for organofluorine methane, ethane, ethene, and acetylene compounds. Energetic properties have been calculated using composite methods (Gaussian-3, Gaussian-4, and ccCA), B3LYP, and CCSD(T). Comparisons of enthalpies of formation to experimental values when available, and between methodologies are made.

Ab initio study on enthalpies of formation for organofluorine compounds

253rd National Meeting (2017)

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