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Synthesis and Monte Carlo Structure Determination of SSZ-77: A New Zeolite Topology

Earl, David J. and Burton, Allen W. and Rea, Thomas and Ong, Kenneth and Deem, Michael W. and Hwang, Son-Jong and Zones, Stacey I. (2008) Synthesis and Monte Carlo Structure Determination of SSZ-77: A New Zeolite Topology. Journal of Physical Chemistry C, 112 (24). pp. 9099-9105. ISSN 1932-7447. http://resolver.caltech.edu/CaltechAUTHORS:20170607-154842084

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Abstract

A new molecular sieve topology has been determined from a multistage Monte Carlo computer simulation procedure using the program ZEFSAII. The material, SSZ-77, consists of alternating layers present in the RUT and AST topologies, and intergrowths may be possible in the way that this material grows. The product first arose from a synthesis where it appears that the degradation of the quaternary ammonium structure directing agent (SDA) produced the viable organo-guest molecule in the structure formation. The synthesis requires the use of Ge as well as Si as lattice components. In the absence of Ge, only RUT forms. An additional study was carried out to determine the suitable size of guest molecules in a series spanning trimethylamine to tetraethylammonium in the presence of benzyltrimethylammonium. It is found from NMR investigations that none of the larger molecules are occluded within the cages of the SSZ-77 structure, and that the primary occluded species is trimethylamine or tetramethylammonium.


Item Type:Article
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URLURL TypeDescription
http://dx.doi.org/10.1021/jp7116856DOIArticle
http://pubs.acs.org/doi/abs/10.1021/jp7116856PublisherArticle
http://pubs.acs.org/doi/suppl/10.1021/jp7116856PublisherSupporting Information
ORCID:
AuthorORCID
Hwang, Son-Jong0000-0002-3210-466X
Additional Information:© 2008 American Chemical Society. Received: December 12, 2007; Revised Manuscript Received: March 25, 2008. Publication Date (Web): May 23, 2008. This research was supported by the U. S. Department of Energy (M.W.D.) and the University of Pittsburgh Central Research Development Fund (D.J.E.). Research was carried out in part at the National Synchrotron Light Source, Brookhaven National Laboratory, which is supported by the U. S. Department of Energy, Division of Materials Sciences and Division of Chemical Sciences. Dr. Chul Kim (Caltech) is thanked for additional NMR experiments carried out to understand the behavior of additional SDA used in the study. We appreciated Tiffany Downey’s contribution to the nitrogen adsorption work.
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Department of Energy (DOE)UNSPECIFIED
University of PittsburghUNSPECIFIED
Record Number:CaltechAUTHORS:20170607-154842084
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20170607-154842084
Official Citation:Synthesis and Monte Carlo Structure Determination of SSZ-77: A New Zeolite Topology David J. Earl, Allen W. Burton, Thomas Rea, Kenneth Ong, Michael W. Deem, Son-Jong Hwang, and Stacey I. Zones The Journal of Physical Chemistry C 2008 112 (24), 9099-9105 DOI: 10.1021/jp7116856
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:78018
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:08 Jun 2017 21:41
Last Modified:08 Jun 2017 21:41

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