Figure 4.
Activation strain analysis for the ring‐opening of 1–4 + AcO−, along the IRC projected onto the Cα⋅⋅⋅Y bond stretch (RC=reactant complex and P=reaction product). Transition states are indicated as filled circles on the curves. Trends across the first row (a and b) show the influence on the reactivity going down a group for the Y atom in the Cα−Y bond, whereas trends across the second row (c and d) show how variation across the period influences the reactivity. Computed at the ZORA‐OLYP/QZ4P level of theory.
