Computational Chemistry and Molecular Modeling
Atomic, Molecular and Optical Physics
Wiley InterScience Backfile Collection 1832-2000
Chemistry and Pharmacology
In the present article, polymethine and annulene electronic spectra are described in a unique way by means of the Pariser-Parr-Pople method. The analytical expressions were derived for the first π-electron transitions energies. The character of the annulene spectra, like the character of the open-chain spectra, was shown to be dependent on the ratio between electron and site numbers. The Dahne's triad theory and the existence of finite energy gap in polymethines are discussed. © 1996 John Wiley & Sons, Inc.
Type of Medium: