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Structure-directing agent location and non-centrosymmetric structure of fluoride-containing zeolite SSZ-55

Research output: Contribution to journalArticle

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Author(s)

A Burton, R J Darton, M E Davis, S J Hwang, R E Morris, I Ogino, S I Zones

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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) angstrom, b = 21.344(4) angstrom, 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.

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Original languageEnglish
Pages (from-to)5273-5278
Number of pages6
JournalJournal of Physical Chemistry B
Volume110
DOIs
Publication statusPublished - 23 Mar 2006

    Research areas

  • MOLECULAR-SIEVE HOSTS, SOLID-STATE NMR, 5-COORDINATE SILICON, CRYSTAL-STRUCTURE, GENERATION, TEMPLATE, POLARITY, COMPLEX, MEDIA, IONS

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