Table 1.

H-shift rate coefficients (seconds⁻¹) and factors derived from theory and experiment

^*For the temperature-dependent rate expressions, refer to SI Appendix. Uncertainty in the calculated rate coefficients is estimated to be less than a factor of 10.

^†Reported values are scaling factors that afford the best fit to the experimental data, assuming a fixed ratio between the calculated diastereomer rate constants and an initial racemic mixture of isomers. Uncertainty is estimated as described in SI Appendix. The experiments are unable to differentiate the S,R and S,S isomers.

^‡Data for 318 K are available in SI Appendix.