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Structure-Directing Agent Location and Non-Centrosymmetric Structure of Fluoride-Containing Zeolite SSZ-55

Burton, Allen and Darton, Richard J. and Davis, Mark E. and Hwang, Song-Jong and Morris, Russell E. and Ogino, Isao and Zones, Stacey I. (2006) Structure-Directing Agent Location and Non-Centrosymmetric Structure of Fluoride-Containing Zeolite SSZ-55. Journal of Physical Chemistry B, 110 (11). pp. 5273-5278. ISSN 1520-6106. https://resolver.caltech.edu/CaltechAUTHORS:20170605-133517758

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Abstract

Single crystals of pure silica zeolite SSZ-55 were prepared using the fluoride route. Single-crystal X-ray diffraction at a synchrotron source revealed the framework structure of the material, but the unit cell (orthorhombic a = 12.905(2) Å, b = 21.344(4) Å, c = 5.1279(10)) is too small to accommodate ordered arrays of the organic structure-directing agent. Molecular modeling was used to simulate the docking of the structure-directing agent in the channels of the material, and this revealed a strong space-filling interaction with a number of possible orientations of the organic cation. The overall non-centrosymmetric structure of the solid (spacegroup C222_1) was confirmed using second harmonic generation experiments.


Item Type:Article
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http://dx.doi.org/10.1021/jp054950oDOIArticle
http://pubs.acs.org/doi/abs/10.1021/jp054950oPublisherArticle
http://pubs.acs.org/doi/suppl/10.1021/jp054950oPublisherSupporting Information
Additional Information:© 2006 American Chemical Society. Received: September 1, 2005; In Final Form: January 9, 2006. Publication Date (Web): February 24, 2006. R.E.M. thanks the Royal Society for the Provision of a University Research Fellowship. We thank Dr. Manfred Buck for help with the SHG measurements. We thank Saleh Elomari at Chevron, the inventor of the SSZ-55 material, for supplying us with the SDA used in this work. Also Tom Rea at Chevron is to be thanked for the microscopy work.
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Royal SocietyUNSPECIFIED
Issue or Number:11
Record Number:CaltechAUTHORS:20170605-133517758
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20170605-133517758
Official Citation:Structure-Directing Agent Location and Non-Centrosymmetric Structure of Fluoride-Containing Zeolite SSZ-55 Allen Burton, Richard J. Darton, Mark E. Davis, Song-Jong Hwang, Russell E. Morris, Isao Ogino, and Stacey I. Zones The Journal of Physical Chemistry B 2006 110 (11), 5273-5278 DOI: 10.1021/jp054950o
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:77947
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:06 Jun 2017 18:29
Last Modified:03 Oct 2019 18:03

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