| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1231477 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2013 | 7 Pages |
The electronic absorption spectra of 1,6-diphenyl-1,3,5-hexatriene (DPH) were recorded in a great number of solvents with various physico-chemical properties. The dependence of the wavenumber in the maximum of the DPH vibronic bands on the solvent dispersion function demonstrates the prevalence of the dispersion interactions in the studied solutions. Some electro-optical parameters of DPH molecule were computed by HyperChem and were correlated with the results obtained from the solvatochromic effects on DPH. The polarizability in the electronic excited state of DPH has been estimated from the solvatochromic effect.
Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slideHighlights► Dispersive forces are prevalent in the DPH solutions, determining the magnitude of the solvatochromic effects. ► A quantum mechanical study of the isolated DPH molecule has been achieved. ► The excited polarizability of DPH was estimated from solvatochromic effects on the A-vibronic bands. ► DPH is a molecule more polarizable in its excited electronic state compared with ground state.
