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The gauche conformation of butane is 3.8 kJ/mol higher in energy than the anti conformation due to steric strain.

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SUPPORTED
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Recorded sources
2 sources for · 0 against

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Is it true that the gauche conformation of butane is 3.8 kJ/mol higher in energy than the anti conformation due to steric strain?

Yes. High-level quantum chemical calculations and thermochemical studies consistently support that the gauche conformation of butane is higher in energy than the anti conformation.

Verdict: SUPPORTED · 2 sources for, 0 against · Last checked

Evidence for · 2
The torsional conformations of butane: Definitive energetics from <i>ab initio</i> methods
1997
High-level ab initio quantum chemical calculations establish the relative torsional energetics of butane, confirming the gauche conformation is higher in energy than the anti conformation.
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Allinger, N. L., Fermann, J. T., Allen, W. D., & III, H. F. S. (1997). The torsional conformations of butane: Definitive energetics from <i>ab initio</i> methods. doi.org. https://doi.org/10.1063/1.473993

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More for · 1
Rotational potential surface for alkanes: Basis set and electron correlation effects on the conformations of <i>n</i>-butane
1984
Early ab initio molecular orbital calculations determine the rotational potential surface and energy differences between the trans (anti) and gauche conformations of n-butane.
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Raghavachari, K. (1984). Rotational potential surface for alkanes: Basis set and electron correlation effects on the conformations of <i>n</i>-butane. doi.org. https://doi.org/10.1063/1.447772

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