A new approach is proposed to evaluate the solvent effect upon the electronic structure of a solute molecule in the liquid phase. The Hartrce-Fock and the extended reference interaction site model integral equations are solved in a self-consistent manner to simultaneously optimize the electronic str
What is the ‘Solvent’ effect on the electronic spectra of a solute in a polymer matrix?
✍ Scribed by Erika Schmidt; Hans Loeliger; René Zürcher
- Publisher
- John Wiley and Sons
- Year
- 1978
- Tongue
- German
- Weight
- 702 KB
- Volume
- 61
- Category
- Article
- ISSN
- 0018-019X
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
The theory of solvent‐induced shifts of the absorption and fluorescence band spectra of a solute is well known and has been tested for a multitude of systems. However, there are only few applications to polymers. By a direct comparison of the spectral shifts in liquid solvents with those in polymers it is possible to determine the microenvironment of the solutes in polymers within the frame of this theory. Polyethylene terephthalate as fabric and film was chosen as model polymer. The spectral shifts of 15 fluorescing solutes in this polymer as well as in 10 solvents with widely differing refractive indices n and permittivities ϵ were measured and fitted to the equations given by the theory of the solvent effect. It is found that interactions with the permanent dipoles of polyethylene terephthalate may be neglected within the limits of accuracy attainable for this polymer and the chosen solutes. Dispersion forces dominate the solvent effect. The refractive indices effective at the site of the solute molecules are n = 1.66 for the fabric and n = 1.70 for the film.
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