Characterization of a Solvatochromic Fluorophore: 1-(2,2-Dicyanovinyo)-2,5-Dimethoxybenzene (DCN-2,5-DMOB) |
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Authors: | John R. Traver Gretchen M. Rehberg Brian Wesley Williams |
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Affiliation: | (1) Line Mountain High School, Herndon, Pennsylvania, 17830;(2) Department of Chemistry, Bucknell University, Lewisburg, Pennsylvania, 17837 |
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Abstract: | Absorption spectra and steady-state fluorescence emission spectra for l-(2,2-dicyanovinyl)-2,5-dimethoxybenzene in five solvents were determined. Although the absorption spectra demonstrate little solvatochromism, emission peaks show a red shift of roughly 90 nm between cyclohexane and methanol or acetonitrile, which appears to indicate charge transfer associated with a relaxed, as opposed to a vertical, excited state. Semiempirical gas phase AM1 calculations on this compound and the related unsubstituted 2,2-dicyanovinyl benzene indicate a dihedral twist of roughly 35° between the phenyl and the dicyanovinyl planes for both molecules in their ground states, as well as substantial polarity associated with the ground states of these compounds. |
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Keywords: | Dicyanobenzenes solvatochromism steady-state fluorescence AM1 calculations |
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