Author： Hochstrasser Robin
Publisher： Taylor & Francis Ltd
ISSN： 1362-3028
Source： Molecular Physics, Vol.24, Iss.3, 1972-09, pp. : 597-607
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Abstract
The coupling of n &pgr;* states amongst themselves or with &pgr;&pgr;* 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.
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