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Foster MD, Delgado Friedrichs O, Bell RG, et al. Chemical evaluation of hypothetical uninodal zeolites. J Am Chem Soc. 2004;126(31):9769-75doi: 10.1021/ja037334j.
Foster, M. D., Delgado Friedrichs, O., Bell, R. G., Almeida Paz, F. A., & Klinowski, J. (2004). Chemical evaluation of hypothetical uninodal zeolites. Journal of the American Chemical Society, 126(31), 9769-75. https://doi.org/10.1021/ja037334j
Foster, Martin D, et al. "Chemical evaluation of hypothetical uninodal zeolites." Journal of the American Chemical Society vol. 126,31 (2004): 9769-75. doi: https://doi.org/10.1021/ja037334j
Foster MD, Delgado Friedrichs O, Bell RG, Almeida Paz FA, Klinowski J. Chemical evaluation of hypothetical uninodal zeolites. J Am Chem Soc. 2004 Aug 11;126(31):9769-75. doi: 10.1021/ja037334j. PMID: 15291580.
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J Am Chem Soc. 2004 Aug 11;126(31):9769-75. doi: 10.1021/ja037334j.

Chemical evaluation of hypothetical uninodal zeolites.

Journal of the American Chemical Society

Martin D Foster, Olaf Delgado Friedrichs, Robert G Bell, Filipe A Almeida Paz, Jacek Klinowski

Affiliations

  1. Davy Faraday Research Laboratory, The Royal Institution of Great Britain, 21 Albemarle Street, London W1S 4BS, UK.

PMID: 15291580 DOI: 10.1021/ja037334j

Abstract

Optimized structural parameters, framework energies relative to alpha-quartz, and volumes accessible to sorption have been calculated for the systematically enumerated hypothetical uninodal zeolitic structures (structures in which all tetrahedral sites are equivalent). The structures were treated as silica polymorphs, and their energies were minimized using the GULP program with the Sanders-Catlow silica potential. Results are given for 164 structures, which include all 21 known uninodal zeolites, two known minerals (tridymite and cristobalite), and 78 unknown zeolite topologies. Twenty-three hypothetical structures were identified as chemically feasible. Complete structural information is provided, and several structures are discussed in detail. The results will assist in the design of new synthetic routes and in the identification of newly synthesized materials.

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