Oligomerization and Cyclization Processes in the Nucleation of Microporous Silicas

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, particula...

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Bibliographic Details
Published in:Angewandte Chemie International Edition 2005-05, Vol.44 (20), p.3082-3086
Main Authors: Mora-Fonz, Miguel J., Catlow, C. Richard A., Lewis, Dewi W.
Format: Article
Language:English
Subjects:
density functional calculations
silicates
sol-gel processes
zeolites
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Summary: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.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.200462524