In the attempt to explain why there are so many hypothetical zeolites and so few observed, a model of assembling zeolite-type frameworks as a packing of natural building units (smallest cages) and/or essential rings (smallest windows) is proposed. The packing units have no common T atoms, hence the model takes into account the process of polycondensation of T4+(OH)4 or [T3+(OH)4]− complex groups resulting in oligomeric TnOm(OH)k units, eliminating water molecules, and forming T−O−T bridges. The packings were modeled for all zeolite minerals and most of the synthetic zeolite-type frameworks accounting for 163 zeolites of the 201 known. It is shown that the extra-framework cations can play a role of templates for the packing units. Application of the model to 1220 hypothetical zeolites shows that only a small set could be explained as packing of tiles, suggesting a possible ranking of feasibility that may help to unravel the zeolite conundrum.
The Zeolite Conundrum : Why Are There so Many Hypothetical Zeolites and so Few Observed? A Possible Answer from the Zeolite-Type Frameworks Perceived As Packings of Tiles / V.A. Blatov, G.D. Ilyushin, D.M. Proserpio. - In: CHEMISTRY OF MATERIALS. - ISSN 0897-4756. - 25:3(2013 Feb), pp. 412-424. [10.1021/cm303528u]
The Zeolite Conundrum : Why Are There so Many Hypothetical Zeolites and so Few Observed? A Possible Answer from the Zeolite-Type Frameworks Perceived As Packings of Tiles
D.M. ProserpioUltimo
2013
Abstract
In the attempt to explain why there are so many hypothetical zeolites and so few observed, a model of assembling zeolite-type frameworks as a packing of natural building units (smallest cages) and/or essential rings (smallest windows) is proposed. The packing units have no common T atoms, hence the model takes into account the process of polycondensation of T4+(OH)4 or [T3+(OH)4]− complex groups resulting in oligomeric TnOm(OH)k units, eliminating water molecules, and forming T−O−T bridges. The packings were modeled for all zeolite minerals and most of the synthetic zeolite-type frameworks accounting for 163 zeolites of the 201 known. It is shown that the extra-framework cations can play a role of templates for the packing units. Application of the model to 1220 hypothetical zeolites shows that only a small set could be explained as packing of tiles, suggesting a possible ranking of feasibility that may help to unravel the zeolite conundrum.File | Dimensione | Formato | |
---|---|---|---|
ACS.cm303528u.pdf
accesso riservato
Tipologia:
Publisher's version/PDF
Dimensione
2.52 MB
Formato
Adobe PDF
|
2.52 MB | Adobe PDF | Visualizza/Apri Richiedi una copia |
Pubblicazioni consigliate
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.