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Further Investigations of Racemic and Chiral Molecular Sieves of the STW Topology

Kang, Jong Hun and McCusker, Lynne B. and Deem, Michael W. and Baerlocher, Christian and Davis, Mark E. (2021) Further Investigations of Racemic and Chiral Molecular Sieves of the STW Topology. Chemistry of Materials, 33 (5). pp. 1752-1759. ISSN 0897-4756. doi:10.1021/acs.chemmater.0c04573.

[img] PDF (Synthesis details; XPD profiles; NMR spectroscopy data; and crystallographic information of STW-type molecular sieves demonstrated in this study) - Supplemental Material
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[img] Crystallographic Info File (CIF) (SingleCrystalXRD_12345PMI-STW) - Supplemental Material
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[img] Crystallographic Info File (CIF) (SingleCrystalXRD_2E134TMI-STW) - Supplemental Material
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[img] Crystallographic Info File (CIF) (Rietveld_RRDQ_RSTW) - Supplemental Material
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Large single crystals of pure-silica STW-type molecular sieves are prepared using 1,2,3,4,5-pentamethylimidazolium (12345PMI) and 2-ethyl-1,3,4-trimethylimidazolium (2E134TMI) as organic structure-directing agents (OSDAs) and α-amino acid additives. The effects of the amount and type of amino acid on the crystallization of pure-silica STW materials are investigated. Room-temperature single-crystal X-ray diffractometry shows that 12345PMI better fits the STW cage than 2E134TMI and is fully consistent with computed simulations. The synthesis of an enantioenriched R-STW-type molecular sieve having a Si/Ge ratio of 2.2 is achieved using a chiral, dicationic OSDA that contains two stereocenters. The conformation of the chiral OSDA in the chiral framework has been obtained from a Rietveld refinement using synchrotron powder diffraction data and is the first structure refinement of an enantioenriched, inorganic molecular sieve prepared from a pure, asymmetric OSDA.

Item Type:Article
Related URLs:
URLURL TypeDescription
Kang, Jong Hun0000-0002-4197-9070
McCusker, Lynne B.0000-0003-0074-1733
Deem, Michael W.0000-0002-4298-3450
Baerlocher, Christian0000-0002-2427-0692
Davis, Mark E.0000-0001-8294-1477
Additional Information:© 2021 American Chemical Society. Received: November 28, 2020; Revised: February 9, 2021; Published: February 24, 2021. The Chevron Energy and Technology Company offered financial support for this research. J.H.K. and M.E.D. thank Prof. George R. Rossman (Geochemistry, Caltech) and Lawrence M. Henling (Beckman Institute, Caltech) for the polarized optical microscopy and the single-crystal X-ray diffractometry analyses, respectively. M.W.D. thanks the U.S. Department of Energy (DOE) for financial support under contract DE-SC0019324. J.H.K. thanks Dr. Marcella Lusardi for acquiring the FT-IR spectrum of the R-STW germanosilicate sample. L.B.M and C.B. thank Nicola Casati for the synchrotron powder diffraction measurements on the Materials Science beamline at the SLS in Villigen, Switzerland. Author Contributions: The manuscript was written through the contributions of all authors. All authors have given approval to the final manuscript. The authors declare no competing financial interest.
Funding AgencyGrant Number
Chevron Energy and Technology CompanyUNSPECIFIED
Department of Energy (DOE)DE-SC0019324
Issue or Number:5
Record Number:CaltechAUTHORS:20210226-075910480
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Official Citation:Further Investigations of Racemic and Chiral Molecular Sieves of the STW Topology. Jong Hun Kang, Lynne B. McCusker, Michael W. Deem, Christian Baerlocher, and Mark E. Davis. Chemistry of Materials 2021 33 (5), 1752-1759; DOI: 10.1021/acs.chemmater.0c04573
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:108228
Deposited By: Tony Diaz
Deposited On:26 Feb 2021 19:42
Last Modified:16 Nov 2021 19:10

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