Preparation of Benzobinacole Using Photochemical Irradiation Reductions and Thermodynamic Computational Study

Abstract

The study of chemical reactions and physical behavior that may occur to the reaction of
benzophenone with isopropyl alcohol and catalysis amount of glacial acetic acid under the
influence of photochemical effects of visible sun light, IR light, laser irradiation or mixing of IR
and sun light using four methods gave different percentage yields of (a, 70; b, 30; c, 23 and d, 90
respectively). Computational study of this reaction indicated that the heat of formation of the
product benzopinacol was more stable by 20.255 kcal /mole than those of reactant benzophenone
, in the same way the single occupied molecular orbital of benzophenol radical SOMO was also
more stable than that of reactant and less than the final product . The suggested free radical
mechanism was given.
The structures of these compounds were confirmed by their physical properties in addition to
the IR and UV Spectra.