Experimental and theoretical studies of the mechanism of the initial attack of ozone on some aromatics in aqueous medium

Abstract

Abstract An experimental study showing the selectivity of the direct reaction of ozone on some aromatics in aqueous medium is presented. The mechanism of the initial attack of ozone on phenol, benzaldehyde and acetophenone is discussed. Molecular orbital calculations are used to study the possible reaction paths for the ozonation of phenol. The changes in relative reactivity of phenol, benzaldehyde and acetophenone are discussed in terms of charges and frontier orbitals.