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Transition State in the Inversion of Cyclohexane

Abstract

CHRISTIANSEN1 has objected to the “half-chair” conformation (C2 symmetry) of cyclohexane as the transition form for inversion of the chair conformation (presumably through the twisted boat) as proposed by one of us2. Earlier calculations3 had already indicated that the route through the boat (or twist-boat) form would permit inversion of the chair form of cyclohexane with lower activation energy than that of the planar hexagon.

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References

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HENDRICKSON, J., PITZER, K. Transition State in the Inversion of Cyclohexane. Nature 212, 749 (1966). https://doi.org/10.1038/212749a0

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