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Hoffmann, R. A wiki for the life sciences where authorship matters. Nature Genetics (2008)
 

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Gas-phase kinetics and activation parameters for thermal [1,5] hydrogen shifts interconverting monodeuterium- labeled 1,3-cycloheptadienes.

The kinetics of thermal equilibrations among monodeuterium-labeled 1,3-cycloheptadienes in the gas phase followed from 154 to 190 degrees C provide activation parameters for the [1,5] shift of a single hydrogen: E(a) = (27.5 +/- 0.9) kcal/ mol and log A = 9.7 [corrected] +/- 0. 4. These activation parameters imply a comparatively low E(a) barrier balanced by demandingly specific geometric constraints, for DeltaS (170 degrees C) = -17 [corrected] e.u.[1]

References

  1. Gas-phase kinetics and activation parameters for thermal [1,5] hydrogen shifts interconverting monodeuterium- labeled 1,3-cycloheptadienes. Baldwin, J.E., Raghavan, A.S. J. Org. Chem. (2004) [Pubmed]
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