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

Kang, Jong Hun; McCusker, Lynne B.; Deem, Michael W.; Baerlocher, Christian; Davis, Mark E.

doi:10.1021/acs.chemmater.0c04573

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

Journal Article · Wed Feb 24 00:00:00 EST 2021 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.0c04573· OSTI ID:1846400

^[1]; ^[2]; ^[3]; Baerlocher, Christian ^[2]; ^[4]

California Institute of Technology (CalTech), Pasadena, CA (United States); Seoul National University (Korea, Republic of); Rice University
ETH Zurich (Switzerland)
Rice University, Houston, TX (United States)
California Institute of Technology (CalTech), Pasadena, CA (United States)

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. Furthermore, 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.

View Accepted Manuscript (DOE)

Research Organization:: Rice Univ., Houston, TX (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0019324

OSTI ID:: 1846400

Journal Information:: Chemistry of Materials, Journal Name: Chemistry of Materials Journal Issue: 5 Vol. 33; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Further Investigations of Racemic and Chiral Molecular Sieves of the STW Topology

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