Publicado in Henry Rzepa's Blog

In the preceding post, I looked at a computed mechanism for the hydrolysis of a ketal by water. Of course, pure water consists of three potential catalysts, water itself or [H 2 O], and the products of autoionisation, [OH ] and [H 3 O + ]. The latter are in much smaller concentration, equivalent to a penalty of ~11.9 kcal/mol on any free energy barrier.