Figure 5.

Representative structures along the MFEP obtained from set A, where Mg²⁺ is bound at the catalytic site. The structures are numbered according to the locations along the MFEP identified in Figure 4B. The MFEP passes through a single transition state, which is phosphorane-like, as depicted in the reaction pathway in Figure 1A and represented here by structure 3. Note that these structures do not represent stationary points but rather represent selected structures along a concerted pathway.