Oligomerization and Cyclization Processes in the Nucleation of Microporous Silicas

Abstract

Key prenucleation species like the open-chain tetramer and the four-membered-ring structure shown are implicated in the formation of zeolites according to density functional theory calculations. The role of the solvent and the pH value is confirmed in the control of condensation reactions, particularly those favoring the formation of cyclic structures present in many zeolite structures.