M. Neurock et Le. Manzer, THEORETICAL INSIGHTS ON THE MECHANISM OF ALKENE EPOXIDATION BY H2O2 WITH TITANIUM SILICALITE, Chemical communications, (10), 1996, pp. 1133-1134
Ethlene preferentially attacks the oxygen closest to the titanium in H
OO-Ti(OSiH3)(3)(MeOH) and HOO-TiL(3) (MeOH) cluster models of the acti
ve Ti-site in TS1 due to a substantially reduced electrostatic repulsi
on.