title: Mechanism of electroreduction of allyl alcohol at platinized platinum electrode in acidic aqueous solution.
abstract: 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.
authors: College of Chemistry and Chemical Engineering, Hunan University, Changsha, 410082, China. yzliang@hunu.edu.cn
authors: H
authors: H
authors: Shukun
authors: S
authors: S
authors: Youqun
authors: Z
authors: Z
authors: Jindong
authors: S
authors: S
authors: Jian
mesh_terms: D000475:Alkenes / Q000138:chemical synthesis / Q000737:chemistry; D004563:Electrochemistry; D007259:Infrared Rays; D020005:Propanols / Q000737:chemistry*
chemical_list: D000475:Alkenes; D020005:Propanols; C006463:allyl alcohol; C013658:propylene