The electroreduction of allyl alcohol to form propene at the platinized platinum electrode in acidic aqueous solution has been studied using CV plots, IR, ESR, and MS spectra, and a semiempricial MO method (MOPAC7/AM1, PM3). From the determinations of charge-transfer coefficients, reaction orders and apparent activation energy for the given reaction, the detection of the intermediates such as C(3)H(5)(+), C(3)H(5)(*), and C(3)H(5)(-) species, and PM3 calculations of charge distribution and frontier orbital energies of the reaction species C(3)H(5)OH and C(3)H(5)(+), the authors suggest that in acidic aqueous solution the production of propene via reductive splitting of the C-OH bond situated in the allyl position of allyl alcohol obeys a carbonium ion-carbanion mechanism.
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