Structure-Directing Agent Location and Non-Centrosymmetric Structure of Fluoride-Containing Zeolite SSZ-55
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.
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.Attached Files
Supplemental Material - jp054950osi20060109_093741.cif
Supplemental Material - jp054950osi20060109_094417.pdf
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Additional details
- Eprint ID
- 77947
- DOI
- 10.1021/jp054950o
- Resolver ID
- CaltechAUTHORS:20170605-133517758
- Royal Society
- Created
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2017-06-06Created from EPrint's datestamp field
- Updated
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2021-11-15Created from EPrint's last_modified field