A DFT Mechanistic Study of the Regio-, Chemo-, and Stereo- Selectivities of the (3 + 2) Cycloaddition of Diarylnitrone Derivatives with 1-(4-Nitrophenyl)-5H-Pyrrolin-2-One

Figure 1

Gibbs free energy profile for the 32CA reaction of A1 (R=H) with A2 in the gas phase at the M06/6-311G (d, ) level of the theory.