Tautomerism of Anthraquinones: I. Purpurin and Anions Derived Therefrom |
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Authors: | V Ya Fain B E Zaitsev M A Ryabov |
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Institution: | (1) Russian University of Peoples’ Friendship, P.O. Box 453, Moscow, 127349, Russia |
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Abstract: | A procedure was proposed for quantitative analysis of tautomeric equilibria of organic compounds. Purpurin was found to exist mainly as 9,10-, 1,4-, and 1,10-anthraquinoid tautomers, its monoanion, as 1,10-anthraquinoid tautomer, the dianion, as 1,10- and 2,9-anthraquinoid tautomers, and the trianion, as 1,10-, 1,4-, and 2,9-anthraquinoid tautomers. Tautomeric transformations occur both in the ground and in the excited states, and the corresponding changes of quantum-chemical parameters in these states are essentially different. The excited states are more sensitive to tautomeric transformations than the ground states.__________Translated from Zhurnal Organicheskoi Khimii, Vol. 41, No. 1, 2005, pp. 43–50.Original Russian Text Copyright © 2005 by Fain, Zaitsev, Ryabov. |
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