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Oligomerization and Cyclization Processes in the Nucleation of Microporous Silicas
Author(s) -
MoraFonz Miguel J.,
Catlow C. Richard A.,
Lewis Dewi W.
Publication year - 2005
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200462524
Subject(s) - microporous material , nucleation , chemistry , tetramer , condensation , density functional theory , ring (chemistry) , chemical engineering , computational chemistry , organic chemistry , thermodynamics , engineering , physics , enzyme
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.