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Location of Ge and extra-framework species in the zeolite ITQ-24

Pinar, A. B. and McCusker, L. B. and Baerlocher, C. and Schmidt, J. and Hwang, S.-J. and Davis, M. E. and Zones, S. I. (2015) Location of Ge and extra-framework species in the zeolite ITQ-24. Dalton Transactions, 44 (13). pp. 6288-6295. ISSN 1477-9226. doi:10.1039/C4DT03831B. https://resolver.caltech.edu/CaltechAUTHORS:20150421-094418904

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Abstract

The germanosilicate ITQ-24 (IWR framework type) was synthesized in fluoride medium using 1,3,5-tris(1,2-dimethylimidazolium) benzene as the structure directing agent (SDA). A structure analysis of the as-synthesized ITQ-24 material using synchrotron powder diffraction data and difference electron density calculations have allowed the fluoride ions and the germanium atoms to be located and the conformation of the SDA to be determined. The benzyl ring is perpendicular to the b axis with the three imidazolium moieties forming a “T-shaped” arrangement. Ge atoms replace some of the Si in the double-4-ring (d4r) and in one of the single-4-rings (s4r). The other s4r contains only Si. Fluoride ions are in the d4r units. Initially, the space group Cmmm (highest possible symmetry) was assumed, but the framework geometry was strained. An independent evaluation of the symmetry using the powder charge flipping algorithm in Superflip led to a successful refinement with reasonable geometry and a refined composition of |[(C_6H_3)(C_7H_(10)N_2)_3]_2F_2|[Si_(40.2)Ge_(15.8)O_(112)] in the space group Pban.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1039/C4DT03831BDOIArticle
http://pubs.rsc.org/en/content/articlelanding/2015/dt/c4dt03831bPublisherArticle
ORCID:
AuthorORCID
Hwang, S.-J.0000-0002-3210-466X
Davis, M. E.0000-0001-8294-1477
Additional Information:© 2015 The Royal Society of Chemistry. Received 13th December 2014, Accepted 12th February 2015. First published online 25 Feb 2015. The authors thank Nicola Casati and Antonio Cervellino from the Material Science beamline at SLS in Villigen, Switzerland, for their assistance with the powder diffraction measurement. A.B.P. thanks Chevron ETC for financial support.
Funders:
Funding AgencyGrant Number
Chevron Energy Technology CompanyUNSPECIFIED
Issue or Number:13
DOI:10.1039/C4DT03831B
Record Number:CaltechAUTHORS:20150421-094418904
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20150421-094418904
Official Citation:Location of Ge and extra-framework species in the zeolite ITQ-24 A. B. Pinar, L. B. McCusker, C. Baerlocher, J. Schmidt, S.-J. Hwang, M. E. Davis and S. I. Zones Dalton Trans., 2015, 44, 6288-6295 DOI: 10.1039/C4DT03831B
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:56807
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:21 Apr 2015 17:17
Last Modified:10 Nov 2021 21:04

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