A comparative DFT study on antioxidative activity of 3- and 4-phenylcoumarins: an aspect of structure, electronics, mechanism, kinetics, and metal chelate relations

The current study aims to compare antioxidative activity of 3-phenylcoumarin 7-dihydroxy-3-(3′,4′-dihydroxyphenyl)chromenone (1) and 4-phenylcoumarin 6,7-dihydroxy-4-(3′,4′-dihydroxyphenyl)chromenone (2) by a DFT (density functional theory) calculation. Thermodynamic and kinetic actions of two studi...

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Bibliographic Details
Published in:	Structural chemistry Vol. 35; no. 1; pp. 265 - 275
Main Authors:	Thuy, Phan Thi, Duc, Dau Xuan, Son, Ninh The
Format:	Journal Article
Language:	English
Published:	New York Springer US 01-02-2024 Springer Nature B.V
Subjects:	Benzene Chemistry Chemistry and Materials Science Computer Applications in Chemistry Density functional theory Hydrocarbons Hydroxyl groups Methanol Nitrogen dioxide Physical Chemistry Theoretical and Computational Chemistry Density functional theory Hydroxy group Antioxidant Comparison Coumarin
Online Access:	Get full text
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