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Communication | Regular issue | Vol 19, No. 7, 1982, pp.1237-1241
Published online, 1st January, 1970
DOI: 10.3987/R-1982-07-1237
Correlation od Singlet-Triplet Transitions of π-Electron Heterocycles with the HMO NV1 Energies

Cyril Párkányi

*Department of Chemistry, The University of Texas at El Paso, El Paso, Texaz 79968-0513, U.S.A.


The wavenumbers of the O-O bands in the phosphorescence spectra of pyridine-like heterocycles and/or the corresponding bands in their S→T absorption spectra are linearly correlated with the HMO N→V1 transition energies, i. e., the transition energies from the highest occupied π-molecular orbital to the lowest unoccupied π-molecular orbital. A similar relationship has been established in the case of thiophene-like heterocycles.