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. Author manuscript; available in PMC: 2016 Mar 24.
Published in final edited form as: J Org Chem. 2015 Dec 4;80(23):11672–11685. doi: 10.1021/acs.joc.5b01951

Figure 5.

Figure 5

Becke3LYP/6-31G* calculated asynchronous and forced Cs symmetry saddle point synchronous transition structures for the reaction of TAD with 1,3-butadiene by Singleton et al. 2001. Asynchronous TS is 1.1 kcal/mol lower in energy than synchronous TS.