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Title: Synthesis and Structure Solution of Zeolite SSZ-65

Abstract

This report describes the synthesis and structure solution of the new zeolite SSZ-65. SSZ-65 may be prepared as either a borosilicate (Si52.5B1.5O108) or an aluminosilicate using 1-[1-(4-chloro-phenyl)-cyclopropylmethyl]-1-ethyl-pyrrolidinium as a structure-directing agent. The structure of SSZ-65 was determined with the FOCUS Fourier recycling method. The framework of SSZ-65 possesses a two-dimensional system of intersecting 12-ring channels with pore apertures of 6.9 Angstroms x 5.9 Angstroms . The topological symmetry of SSZ-65 is P6/mmm, but improvements in the Rietveld refinement of the powder diffraction data are obtained in space group P6/m (a = 16.8009(2) Angstroms and c = 12.6154(1) Angstroms ). The agreement values improve from Rwp = 0.116, Rp = 0.094, and R(F2) = 0.142 in P6/mmm to Rwp = 0.103, Rp = 0.085, and R(F2) = 0.092 in P6/m.

Authors:
; ; ; ;
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL) National Synchrotron Light Source
Sponsoring Org.:
Doe - Office Of Science
OSTI Identifier:
959646
Report Number(s):
BNL-82632-2009-JA
Journal ID: ISSN 0897-4756; CMATEX; TRN: US201016%%790
DOE Contract Number:
DE-AC02-98CH10886
Resource Type:
Journal Article
Resource Relation:
Journal Name: Chemistry of Materials; Journal Volume: 19
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; APERTURES; BOROSILICATE GLASS; DIFFRACTION; RECYCLING; SPACE GROUPS; SYMMETRY; SYNTHESIS; ZEOLITES; national synchrotron light source

Citation Formats

Elomari,S., Burton, A., Ong, K., Pradhan, A., and Chan, I.. Synthesis and Structure Solution of Zeolite SSZ-65. United States: N. p., 2007. Web. doi:10.1021/cm070459t.
Elomari,S., Burton, A., Ong, K., Pradhan, A., & Chan, I.. Synthesis and Structure Solution of Zeolite SSZ-65. United States. doi:10.1021/cm070459t.
Elomari,S., Burton, A., Ong, K., Pradhan, A., and Chan, I.. Mon . "Synthesis and Structure Solution of Zeolite SSZ-65". United States. doi:10.1021/cm070459t.
@article{osti_959646,
title = {Synthesis and Structure Solution of Zeolite SSZ-65},
author = {Elomari,S. and Burton, A. and Ong, K. and Pradhan, A. and Chan, I.},
abstractNote = {This report describes the synthesis and structure solution of the new zeolite SSZ-65. SSZ-65 may be prepared as either a borosilicate (Si52.5B1.5O108) or an aluminosilicate using 1-[1-(4-chloro-phenyl)-cyclopropylmethyl]-1-ethyl-pyrrolidinium as a structure-directing agent. The structure of SSZ-65 was determined with the FOCUS Fourier recycling method. The framework of SSZ-65 possesses a two-dimensional system of intersecting 12-ring channels with pore apertures of 6.9 Angstroms x 5.9 Angstroms . The topological symmetry of SSZ-65 is P6/mmm, but improvements in the Rietveld refinement of the powder diffraction data are obtained in space group P6/m (a = 16.8009(2) Angstroms and c = 12.6154(1) Angstroms ). The agreement values improve from Rwp = 0.116, Rp = 0.094, and R(F2) = 0.142 in P6/mmm to Rwp = 0.103, Rp = 0.085, and R(F2) = 0.092 in P6/m.},
doi = {10.1021/cm070459t},
journal = {Chemistry of Materials},
number = ,
volume = 19,
place = {United States},
year = {Mon Jan 01 00:00:00 EST 2007},
month = {Mon Jan 01 00:00:00 EST 2007}
}
  • No abstract prepared.
  • This paper reports the synthesis, characterization, and crystallographic studies of the new all-silica zeolite SSZ-73. The framework topology of SSZ-73 is isostructural with the aluminophosphate STA-6 (SAS). SSZ-73 is prepared from fluoride-containing gels using 3-ethyl-1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane cation as a structure-directing agent. SSZ-73 is an all-silica zeolite with a one-dimensional system of eight-ring pores. However, SSZ-73 possesses a remarkably high micropore volume (0.25 cm{sup 3}/g) due to the rather large cages in the structure. A single-crystal X-ray diffraction study of the as-made material shows that fluoride resides within the double six-ring cages of the SAS framework. Molecular docking studies were performed formore » the two geometric isomers of the structure-directing agent in the all-silica frameworks of SAS, RTH, ITE, and STF. The studies suggest that the isomer with the ethyl group cis to the bridgehead carbon is the likely structure-directing agent for SSZ-73 and that the other isomer may be responsible for the small amounts of RTH impurity observed in some preparations of SSZ-73.« less
  • 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 additionalmore » 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.« less
  • No abstract prepared.
  • The synthesis, structure solution, and characterization of the novel zeolite SSZ-56 (Si54.7B1.3O112) are described. SSZ-56 is synthesized under hydrothermal conditions using the trans-fused ring isomer of N,N-diethyl-2-methyldecahydroquinolinium as a structure directing agent. The synthesis of SSZ-56 is sensitive to the isomeric purity of the structure-directing agent. The structure of SSZ-56 was determined from powder diffraction data with the FOCUS Fourier recycling method using peak intensities extracted with the fast iterative Patterson squaring (FIPS) method. SSZ-56 possesses a relatively complex structure with 14 tetrahedral atoms in the asymmetric unit of its topological symmetry. Rietveld refinement of synchrotron X-ray powder diffraction datamore » in space group P21/m (a = 13.9483 (2), b = 19.8958 (1), c = 12.3613 (1)A, ? = 106.68 degrees) confirms the proposed model. SSZ-56 possesses a 12-ring channel system that is intersected by a 10-ring channel system. The two-dimensional projection along the b-axis is similar to the projection along the pores of zeolite beta (polymorph B), and the two-dimensional projection along the c-axis is similar to the projections along the straight 10-ring channels of zeolite ZSM-5.« less