Theoretical and experimental studies for preparing 1, 1-dibromo-1,2,2,2-tetrafluoroethane on gas-phase bromination of 1,1,1,2-tetrafluoroethane

Efficient gas-phase bromination of 1, 1, 1, 2-tetrafluoroethane (HFC-134a) for the preparation of 1, 1-dibromo-1, 2, 2, 2-tetrafluoroethane (CF₃CFBr₂) has been described for the first time. A wide-ranging experimental investigation on the influence of some relevant process parameters was performed with the use of optimized parameters, resulting in the HFC-134a conversion yield and the selectivity to CF₃CFBr₂ of higher than 98% and 60%, respectively. Furthermore, the possible reaction pathways and products were identified with state-of-the-art density functional theory calculations. The gas-phase bromination of HFC-134a provided a potential method to produce CF₃CFBr₂ in currently related industry field.