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A Most Unusual Zeolite Templating: Cage to Cage Connection of One Guest Molecule

Zones, S. I. and Hwang, Son-Jong and Olmstead, Marilyn M. and Teat, Simon J. and Jackowski, Anna and Burton, Allen W. and Kim, Chul (2010) A Most Unusual Zeolite Templating: Cage to Cage Connection of One Guest Molecule. Journal of Physical Chemistry C, 114 (19). pp. 8899-8904. ISSN 1932-7447.

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An unusual case of a diquaternary ammonium dication, with large bulky end groups built from the tropane moiety and connected by a C4 methylene chain, is found to reside in zeolite SSZ-35 (STF). The structure of the guest/host product is such that the tropane bicylic entities reside in the shallow cavities of the cages of the STF structure and the C4 methylene chain runs through the 10-ring (~5.5 Å) window that connects the cages. This is a most unusual (and energy-intensive) templating of a zeolite structure with the guest molecule spanning two unit cells. The unusual result was found by single crystal studies with the addition of the use of the SQUEEZE program to show a consistent fit for the guest molecule following from measured electron densities in the crystal structure work. These analyses were followed with MAS NMR studies to confirm the integrity of the diquaternary guest molecule in the host sieve. A few comparative diquaternary guest molecules in MFI zeolite are also studied.

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Hwang, Son-Jong0000-0002-3210-466X
Additional Information:© 2010 American Chemical Society. Received: December 2, 2009; Revised Manuscript Received: April 1, 2010. Publication Date (Web): April 21, 2010. We thank the Office of Basic Research Sciences, U.S. Department of Energy, Contract No. DE-AC02- 05CH11231 for support of beamline work. Chevron Energy and Technology Co. is thanked for support of the synthesis work that led to this discovery. The NMR facility at Caltech was supported by the National Science Foundation (NSF) under Grant No. 9724240 and partially supported by the MRSEC Program on the NSF under Award no. DMR-0520565.
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Department of Energy (DOE)UNSPECIFIED
Chevron Energy and Technology Co.UNSPECIFIED
Issue or Number:19
Record Number:CaltechAUTHORS:20100602-101442336
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Official Citation:A Most Unusual Zeolite Templating: Cage to Cage Connection of One Guest Molecule S. I. Zones, Son-Jong Hwang, Marilyn M. Olmstead, Simon J. Teat, Anna Jackowski, Allen W. Burton, Chul Kim The Journal of Physical Chemistry C 2010 114 (19), 8899-8904
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:18517
Deposited By: Jason Perez
Deposited On:02 Jun 2010 18:21
Last Modified:03 Oct 2019 01:43

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