Rhodium-Catalyzed Hydroformylation of Ketal-Masked β‑Isophorone: Computational Explanation for the Unexpected Reaction Evolution of the Tertiary Rh-Alkyl via an Exocyclic β‑Elimination Derivative

Ketal-masked β-isophorone (7,9,9-trimethyl-1,4-dioxaspiro[4.5]­dec-7-ene) is an interesting case study of Rh-catalyzed hydroformylations not only for the competition between secondary and tertiary rhodium alkyls but also for the unexpected isomerization of the tertiary Rh-alkyl to the exocyclic olef...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2015-05, Vol.119 (21), p.5117-5133
Hauptverfasser:	Alagona, Giuliano, Ghio, Caterina
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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