Analysis of Menger’s ‘spatiotemporal hypothesis’

Ab initio at HF/6-31G and HF/6-31G(d,p) levels, AM1 and molecular mechanics calculations of thermodynamic and kinetic parameters for Menger’s system 1–3 (an important enzyme model) indicate that the remarkable enhancement in the proton transfer process is largely the result of a strain effect, and this strain is a function of the bond distance between the two reacting centers and the value of the angle of attack.