Über den Einfluss nichtpolarer Lösungsmittel auf Lage und Intensität von Absorptionsbanden in den Elektronenspektren apolarer Molekeln: I. Modell
- 31 January 1973
- journal article
- research article
- Published by Wiley in Helvetica Chimica Acta
- Vol. 56 (2) , 739-758
- https://doi.org/10.1002/hlca.19730560218
Abstract
Based on the assumption that the influence of the solvent on the wavelength and intensity of the absorption spectrum of non‐polar molecules is due to Coulombic interaction of the electronic transition moments, three models are presented to calculate the wavelength and intensity changes using perturbation theory. In addition a computer program which allows to calculate solvent effects by simulation of the molecular solvent shell is developped. Using known data from solution spectra of polyenes, the experimental wavelength and intensity changes are compared with the calculated values.Keywords
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