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On the Stability of the π-Allyl Intermediate in Molybdenum-catalyzed Asymmetric Alkylations by Jennifer A.R. Luft; Zhi-Xiang Yu; David L. Hughes; Guy C. Lloyd-Jones; Shane W. Krska; Kendall N. Houk is a Chemistry article available to read on EtoBox.

What is On the Stability of the π-Allyl Intermediate in Molybdenum-catalyzed Asymmetric Alkylations about?

Density functional theory calculations were performed on the apparent g 3 -p-allyl molybdenum intermediate that is observed during molybdenum-catalyzed asymmetric allylation [Proc. Natl. Acad. Sci. U.S. A. 2004, 101, 5379]. The relative stabilities of geometric isomers, diastereoisomers, and p-allyl rotamers of the p-allyl molybdenum intermediate were investigated. Calculations show that the observed intermediate is the most stable because of two factors: (1) the observed p-allyl molybdenum intermediate maximizes the bonding and back-bonding interactions between molybdenum and the p-allyl ligand; and (2) the observed p-allyl molybdenum intermediate minimizes the steric interactions between the chiral ligand and the p-allyl group.

Who reads On the Stability of the π-Allyl Intermediate in Molybdenum-catalyzed Asymmetric Alkylations?

It is typically read by researchers, students, and practitioners in Chemistry.

Author
Jennifer A.R. Luft; Zhi-Xiang Yu; David L. Hughes; Guy C. Lloyd-Jones; Shane W. Krska; Kendall N. Houk
Publisher
Elsevier Science; Elsevier ; Elsevier Ltd.; Elsevier BV (ISSN 0957-4166)
Published
2006
Language
EN
Field
Chemistry (Physical Sciences)

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