Mechanism of electroreduction of allyl alcohol at platinized platinum electrode in acidic aqueous solution

The electroreduction of allyl alcohol to form propene at the platinized pla tinum 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 an d apparent activation energy for the given reaction, the detection of the i ntermediates such as C3H5+, C3H5., and C3H5- species, and PM3 calculations of charge distribution and frontier orbital energies of the reaction specie s C3H5OH and C3H5+, 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 mechan ism.