Theory of n to π* transitions: more than tone nonbonding center

Abstract

We extend the theory of n to π* transitions, previously developed, to include two or more nonbonding centers. When tunneling between nonbonding orbitals is taken into account the situation reduces to the familiar polymer (or specifically, dimer, for two nonbonding sites) vibronic problem with the n states playing the role of the polymer electronic states and the π electrons, the role of the polymer nuclear vibrations. A model calculation is presented for the -NN-group (attached to a non-conjugated system).