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The Case for Steric Repulsion Causing the Staggered Conformation of Ethane
Abstract
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.
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Citations
Cited by
Poater, J., Duran, M., Solà, M., & Silvi, B. (2005) · Chemical Reviews · doi:10.1021/cr030085x · Cited by 803
Alabugin, I. V., Gilmore, K. M., & Peterson, P. W. (2011) · WIREs Computational Molecular Science · doi:10.1002/wcms.6 · Cited by 268
Theoretical Analysis of the Rotational Barrier of Ethane
Mo, Y., & Gao, J. (2007) · Accounts of Chemical Research · doi:10.1021/ar068073w · Cited by 194
Aromaticity and Stability of Azaborines
Baranac‐Stojanović, M. (2014) · Chemistry – A European Journal · doi:10.1002/chem.201402851 · Cited by 90
Is Cyclopropane Really the σ‐Aromatic Paradigm?
Wu, W., Ma, B., I‐Chia Wu, J., Schleyer, P. V. R., & Mo, Y. (2009) · Chemistry – A European Journal · doi:10.1002/chem.200900586 · Cited by 84
Metadata
- Authors
- Bickelhaupt, F. M., & Baerends, E. J.
- Venue
- Angewandte Chemie International Edition
- Publisher
- Wiley
- Published
- 2003-09-15
- Volume
- 42
- Issue
- 35
- Pages
- 4183-4188
- ISSN
- 1433-7851 (ISSN-L)
- 1521-3773
- OpenAlex
- W2134670420
- Cited by
- 238
- References
- 0
- FWCI
- 6.12
- Type
- journal article
- Language
- en
- Open access
- closed
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- Bickelhaupt, F. M., & Baerends, E. J. (2003). The Case for Steric Repulsion Causing the Staggered Conformation of Ethane. Angewandte Chemie International Edition. https://doi.org/10.1002/anie.200350947
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Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
