Stark effects and electric dipole coupling ofnπ* and ππ* states

Publisher Website
Google Scholar
Abstract
The coupling of nπ* states amongst themselves or with ππ* states can be induced by static electric fields. The resulting linear or non-linear Stark effects expose hitherto unknown aspects of the properties of the n-orbitals. The matrix elements of the dipole operator are calculated for most of the important two-electron configurations that are expected to describe the low energy electronic states of azines. The case of s-triazine is treated in detail and results are given for pyridine, pyrazine, pyrimidine, pyridazine and s-tetrazine. On the basis of these calculations a number of predictions of measurable effects are made including estimates of the intensities of new infra-red triplet-triplet (and singlet-singlet) absorption bands of azines, and lifetimes of some electronic transitions in the infra-red that may be important in electronic relaxation in isolated molecules.

This publication has 14 references indexed in Scilit: