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. Author manuscript; available in PMC: 2009 Nov 7.
Published in final edited form as: J Org Chem. 2008 Oct 1;73(21):8189–8197. doi: 10.1021/jo801104t

Figure 1.

Figure 1

Transition structures for the Curtius rearrangement on synC–N conformers of acetyl azide, pivaloyl azide and benzoyl azide. Transition structures were optimized at the B3LYP/6-311+G(d,p) level of theory. (A) Δ(E+ZPVE)‡ =27.6 kcal/mol. (B) Δ(E+ZPVE)‡ =27.4 kcal/mol. (C) Δ(E+ZPVE)‡ =30.0 kcal/mol.