Quantum Chemistry Calculation for the π-Charge Density Distribution of 2,3,7-Trihydroxyfluorones and the Discussion of Their Properties

Chem. J. Chinese Universities ›› 1992, Vol. 13 ›› Issue (6): 745.

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Quantum Chemistry Calculation for the π-Charge Density Distribution of 2,3,7-Trihydroxyfluorones and the Discussion of Their Properties

WU Nian-ci, LIU Ding-wu, WANG Nai-dong, QI Wen-bin

Department of Chemistry, Hangzhou University, Hangzhou, 330028

Received:1991-06-20 Online:1992-06-24 Published:1992-06-24

Abstract

Abstract: The π-charge density distribution of fifteen 2,3, 7-trihydroxyfluorones has been calculated by HMO method.The sequence of the dissociation of three hydroxyl groups of 1,3,7-tri-hydroxyfluorones has been settled by analysis of π-charge density distribution.According to the proper acidity ranges of color reactions and the molar ratio of the colored complexes, the structure of the complexes are discussed.

Key words: HMO method, 2,3,7-trihydroxyfluorones, π-charge density distribution, Structure of the complexes

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WU Nian-ci, LIU Ding-wu, WANG Nai-dong, QI Wen-bin . Quantum Chemistry Calculation for the π-Charge Density Distribution of 2,3,7-Trihydroxyfluorones and the Discussion of Their Properties[J]. Chem. J. Chinese Universities, 1992, 13(6): 745.

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Quantum Chemistry Calculation for the π-Charge Density Distribution of 2,3,7-Trihydroxyfluorones and the Discussion of Their Properties

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