Dynamic behavior of rearranging carbocations - implications for terpene biosynthesis

This review describes unexpected dynamical behaviors of rearranging carbocations and the modern computational methods used to elucidate these aspects of reaction mechanisms. Unique potential energy surface topologies associated with these rearrangements have been discovered in recent years that are...

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Bibliographic Details
Published inBeilstein journal of organic chemistry Vol. 12; no. 1; pp. 377 - 390
Main Authors Hare, Stephanie R, Tantillo, Dean J
Format Journal Article
LanguageEnglish
Published Germany Beilstein-Institut zur Föerderung der Chemischen Wissenschaften 29.02.2016
Beilstein-Institut
Subjects
carbocation
Chemistry
density functional theory
dynamics
mechanism
Review
terpene
carbocation
dynamics
terpene
mechanism
density functional theory
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Summary:This review describes unexpected dynamical behaviors of rearranging carbocations and the modern computational methods used to elucidate these aspects of reaction mechanisms. Unique potential energy surface topologies associated with these rearrangements have been discovered in recent years that are not only of fundamental interest, but also provide insight into the way Nature manipulates chemical space to accomplish specific chemical transformations. Cautions for analyzing both experimental and theoretical data on carbocation rearrangements are included throughout.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-3
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ObjectType-Review-1
ISSN:1860-5397
2195-951X
1860-5397
DOI:10.3762/bjoc.12.41