Electrochemical behaviour of 2-hydroxybenzophenones and related molecules

Abstract

An electrochemical study, using cyclic voltammetry of 2-hydroxybenzophenone and related molecules, containing various electron withdrawing and/or electron donating groups, is presented. The CV profiles of the various molecules show one sharp reduction and one small oxidation wave, coupled to the reduction wave. Density functional theory (DFT) calculations shed light on the transmission of charges through the molecule, due to the different substituent groups at the ortho, meta or para positions. Various DFT calculated energies relate linearly to the experimentally measured reduction potential. These obtained linear relationships can be used to predict the reduction potential of similar molecules.