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Rebuttal to the Bickelhaupt–Baerends Case for Steric Repulsion Causing the Staggered Conformation of Ethane

✍ Scribed by Frank Weinhold

Publisher: John Wiley and Sons
Year: 2003
Tongue: English
Weight: 156 KB
Volume: 42
Category: Article
ISSN: 0044-8249
DOI: 10.1002/anie.200351777

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It has recently been argued [1,2] that the barrier to rotation around the C À C bond in ethane is not to be explained by the generally accepted picture of steric hindrance between vicinal CÀH bonds in the eclipsed conformation but is caused by more favorable orbital interaction in the staggered conf