The π-electronic structures of some compounds containing boron–oxygen bonds. Part I. Compounds where boron is not in a ring

Abstract

The Pariser–Parr–Pople method has been used to calculate the π-electronic structures of a number of compounds which are derived from phenylboronic acid. Satisfactory agreement between the observed and calculated electronic spectra was obtained. The energy levels of the compounds are related to those of styrene and the spectra and π-electron distributions are discussed on this basis.