Computational and Experimental Evidence of Two Competing Thermal Electrocyclization Pathways for Vinylheptafulvene

The thermal electrocyclic ring‐closure reaction of vinylheptafulvene (VHF) to form dihydroazulene (DHA) is elucidated herein by using DFT and 1H NMR spectroscopy. Two different transition states were found computationally; one corresponds to a disrotatory pathway, which is allowed according to the W...

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Veröffentlicht in:	Chemistry, an Asian journal an Asian journal, 2019-04, Vol.14 (8), p.1111-1116
Hauptverfasser:	Frandsen, Benjamin N., Skov, Anders B., Cacciarini, Martina, Brøndsted Nielsen, Mogens, Kjaergaard, Henrik G.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry diastereoselectivity electrocyclic reactions isomerization NMR spectroscopy Organic chemistry Polarity rearrangement solvent effects Solvents Very high frequencies
Online-Zugang:	Volltext
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