Dual reaction channels for photocatalytic oxidation of phenylmethanol on anatase.
Phys Chem Chem Phys
; 15(4): 1082-7, 2013 Jan 28.
Article
em En
| MEDLINE
| ID: mdl-23223328
ABSTRACT
This work explores thoroughly the reaction network of the partial oxidation of phenylmethanol at the TiO(2)-solvent interface under photocatalytic conditions by using a first-principles continuum solvation method. We demonstrate that the photocatalytic oxidation of phenylmethanol has a complex reaction network with dual pathways. The dimer pathway dominates the mechanism under aerobic conditions and a [C(6)H(5)CH(OH)O](2) peroxo dimer is the key intermediate, the decomposition of which leads to an unusual O exchange phenomenon.
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01-internacional
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MEDLINE
Idioma:
En
Ano de publicação:
2013
Tipo de documento:
Article