The Case for Steric Repulsion Causing the Staggered Conformation of Ethane

The Case for Steric Repulsion Causing the Staggered Conformation of Ethane

The barrier to rotation in ethane (see picture) is considered a prototypical case of steric hindrance. This view has been recently contradicted, and hyperconjugation has been put forward as the right explanation. The authors argue that there is no reason to abandon the steric repulsion explanation,...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Angewandte Chemie International Edition 2003-09, Vol.42 (35), p.4183-4188
Hauptverfasser: Bickelhaupt, F. Matthias, Baerends, Evert Jan
Format: Artikel
Sprache:eng
Schlagworte:
conformation analysis
electronic structure
ethane
rotation barrier
steric hindrance
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:The barrier to rotation in ethane (see picture) is considered a prototypical case of steric hindrance. This view has been recently contradicted, and hyperconjugation has been put forward as the right explanation. The authors argue that there is no reason to abandon the steric repulsion explanation, and discuss why different electronic structure analyses yield different views.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.200350947