Elucidating the Mechanism of Coumarin Homodimerization Using 3-Acetylcoumarin Derivatives

Elucidating the Mechanism of Coumarin Homodimerization Using 3-Acetylcoumarin Derivatives

The current study is a continuation of our previous investigations into the radical homodimeric reaction mechanism of 3-acetylcoumarin. In the current study, the effects of different substituents on the coumarin ring of 3-acetylcoumarin are investigated both experimentally and theoretically. Several...

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Main Authors: Kristina B. Simeonova, Ana I. Koleva, Nevena I. Petkova-Yankova, Anna-Mariya R. Zlatanova, Vesela Lozanova, Rositca D. Nikolova, Petko St. Petkov
Format: Article
Language:English
Published: MDPI AG 2025-02-01
Series:Molecules
Subjects:
reaction mechanism
homodimerization
3-acetylcoumarin
density functional theory calculations
coumarin
DFT modeling
Online Access:https://www.mdpi.com/1420-3049/30/3/651
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