Background: The conversion reactions of α -pinene involve mainly
isomerization and hydration. These two competing reactions result in various terpenederivative
products such as terpinene, limonene, terpineol and other derivatives.
Objective: The reaction energy profile of the α-pinene conversion through a carbocation
pathway has been studied.
Method: The carbocation pathway was thoroughly studied by measuring conductivity and
performing an infrared analysis of the liquid. The energy profile was computed by
molecular modeling using the M062X XC functional with the 6-31G(d) basis set in
IEFPCM continuum solvent model.
Conclusion: By measuring the conductivity of the mixture and performing infrared
analysis, one can conclude that the α -pinene reaction occurs through the presence of an
intermediate carbocation molecule. The reaction mechanism covering various terpenederivative
products has been explained/examined and thoroughly investigated in this paper.