Conjugation Energy

Abstract

The relationship between conjugation energies and self-atom-polarizabilities, previously derived from certain approximate theoretical relationships, is obtained in a more accurate form by an empirical least-squares calculation. An analogous relationship is also derived from calculating conjugation energies when the overlap integral is taken into account. A tabulation of all relevant polarizability data from the literature is presented, and a method of extending the data to larger molecules is described and exemplified. A possible alternative method of deriving conjugation energies is briefly discussed.