Exploring the Mechanism of the Intramolecular Diels–Alder Reaction of (2<i>E</i>,4<i>Z</i>,6<i>Z</i>)-2(allyloxy)cycloocta-2,4,6-trien-1-one Using Bonding Evolution Theory

In the present work, the bond breaking/forming events along the intramolecular Diels–Alder (IMDA) reaction of (2<i>E</i>,4<i>Z</i>,6<i>Z</i>)-2(allyloxy)cycloocta-2,4,6-trien-1-one have been revealed within bonding evolution theory (BET) at the density functional theory level, using the M05-2X funct...

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Autors principals:	Abel Idrice Adjieufack, Jean Moto Ongagna, Jean Serge Essomba, Monique Bassomo Ewonkem, Mónica Oliva, Vicent Sixte Safont, Juan Andrés
Format:	Artigo
Idioma:	Inglês
Publicat:	MDPI AG 2023-09-01
Col·lecció:	Molecules
Matèries:	intramolecular Diels–Alder reaction bonding evolution theory QTAIM analysis
Accés en línia:	https://www.mdpi.com/1420-3049/28/19/6755
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