Solvatochromism of Heteroaromatic Compounds: XVIII. Reversible Effect of the Medium on the UV spectra of 2-(2-Benzoyl-1-phenylethenyl)-5-phenylpyrrole |
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| Authors: | Turchaninov V. K. Chipanina N. N. Stepanova Z. V. Kanitskaya L. V. Fedorov C. V. Gavrilova G. A. Murzina N. M. Aksamentova T. N. Sobenina L. N. Mikhaleva A. I. |
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| Affiliation: | (1) Favorskii Irkutsk Institute of Chemistry, Siberian Division, Russian Academy of Sciences, Irkutsk, Russia |
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| Abstract: | Theoretical (B3LYP/6-31G*) and experimental (NMR, UV, and IR spectroscopy) data on the electronic and steric structure of 2-(2-benzoyl-1-phenylethenyl)-5-phenylpyrrole have been analyzed in the context of the hypothesis of the zwitter ionic nature of its ground state. The molecule involves a strong NH···O bond, and its ground state can be described as a hybrid of the neutral and zwitter ionic canonical forms; this conclusion was confirmed by the observation of a reversible medium effect on the electronic absorption spectrum of the substrate. |
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