Ketene−Ketenimine Rearrangements in the Gas Phase and in Polar Media. 1,3-Migration Intermediates and Sequential Transition States

Calculations of the activation barrier for the 1,3-shifts of substituents X in α-imidoylketenes 1 (HNC(X)−CHCO), which interconverts them with α-oxoketenimines 3 (HNCCH−C(X)O) via a four-membered cyclic transition state TS2 have been performed at the B3LYP/6-311+G(3df,2p)//B3LYP/6-31G* level....

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Veröffentlicht in:	Journal of organic chemistry 2005-11, Vol.70 (24), p.9735-9739
Hauptverfasser:	Finnerty, Justin J, Wentrup, Curt
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Exact sciences and technology Kinetics and mechanisms Organic chemistry Reactivity and mechanisms
Online-Zugang:	Volltext
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