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. Author manuscript; available in PMC: 2014 Apr 19.
Published in final edited form as: J Org Chem. 2013 Mar 22;78(8):4037–4048. doi: 10.1021/jo400350v

Figure 6.

Figure 6

Optimized reactant and transition state geometries for the reaction of TFDO with (a) 8 and (b) 9. R = -C(O)NHCH2CF3. The iPr substituents on the decalin rings of 8′ and 9′ were omitted for simplicity. Energies are in kcal/mol. Individual components of distortion energies (alkane distortion, dioxirane distortion) are in parenthesis. Energies with dichloromethane solvation correction are in square brackets.