Effect of Fluorine and Amine groups on kinetics of the carbocation formation: a Quantum Mechanical study

The haloalkanes especially CFCsare very important in industrial process. In this research the kinetics of carbocation formation from 1-chloro 2-methyl 2-propane amide and 1-chloro 2-methyl 2-fluoro propane were studied by the HF method. As the result of this research, the kinetics of carbocation formation reaction depends on the nature of substitution attached to halo alkane. For instance the activation energy for the reaction of halo alkane including the fluorine as substitution is greater than the carbocation formation from the halo alkane substituted with NH2 group.

کلیدواژه ها:

1-chloro 2-methyl 2-propane amide ، HF method ، carbocation