Hydrogen bonds in self- and heteroassociates of cumyl hydroperoxide in solutions and polymeric matrixes

Abstract

Self- and heteroassociation of cumyl hydroperoxide hydrogen bonded with acetone, acetophenone and acetonitrile as a proton acceptor in n-decane solutions was studied by FTIR spectroscopy in the range of 3100-3700 cm-1. The hydrogen bonds of cumyl hydroperoxide were investigated in both benzene and two polymeric matrixes. To interpret spectroscopic data the factor analysis was used. Equilibrium constants and thermodynamic parameters of the heteroassociate formation were determined. The DFT calculations of self- and heteroassociates of cumyl hydroperoxide were carried out. © 2010 Elsevier B.V. All rights reserved.