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Germanate with Three-Dimensional 12 x 12 x 11-Ring Channels Solved by X-ray Powder Diffraction with Charge-Flipping Algorithm
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
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2013 (English)In: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 52, no 18, 10238-10244 p.Article in journal (Refereed) Published
Abstract [en]

A new open-framework germanate, denoted as GeO-JU90, was prepared by the hydrothermal synthesis method using 1,5-bis(methylpyrrolidinium)pentane dihydroxide as the organic structure-directing agent (SDA). The structure of GeO-JU90 was determined from synchrotron X-ray powder diffraction (XRPD) data using the charge-flipping algorithm. It revealed a complicated framework structure containing 11 Ge atoms in the asymmetric unit. The framework is built of 7-connected Ge-7 clusters and additional tetrahedral GeO3(OH) units forming a new three-dimensional interrupted framework with interesting 12 X 12 X 11-ring intersecting channels. The Ge K-edge extended X-ray absorption fine structure (EXAFS) analysis was performed to provide the local structural information around Ge atoms, giving rise to a first-shell contribution from about 4.2(2) O atoms at the average distance of 1.750(8) angstrom. The guest species subsequently determined by the simulated annealing method from XRPD data combining with other characterization techniques, e.g., C-13 NMR spectroscopy, infrared spectroscopy (FTIR), compositional analyses, and thermogravimetric analysis (TGA). Crystallographic data vertical bar(C15N2H32)(NH4)vertical bar[Ge11O21.5(OH)(4)], orthorhombic Ama2 (No. 40), a = 37.82959 angstrom, b = 15.24373 angstrom, c = 12.83659 angstrom, and Z = 8.

Place, publisher, year, edition, pages
2013. Vol. 52, no 18, 10238-10244 p.
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-101026DOI: 10.1021/ic302705fISI: 000330098300008OAI: oai:DiVA.org:su-101026DiVA: diva2:699396
Note

AuthorCount:6;

Funding agencies:

National Natural Science Foundation of China;  State Basic Research Project of China 2011CB808703; Swedish Research Council (VR);  Swedish Governmental Agency for Innovation Systems (VINNOVA) through the Berzelii Center EXSELENT;  NSERC Canada;  CIHR;  NRC; University of Saskatchewan  

Available from: 2014-02-27 Created: 2014-02-21 Last updated: 2017-12-05Bibliographically approved
In thesis
1. Inorganic and Metal-Organic Framework Materials: Synthesis and structure characterization
Open this publication in new window or tab >>Inorganic and Metal-Organic Framework Materials: Synthesis and structure characterization
2014 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Inorganic and metal-organic framework materials possessing accessible and permanent pores are receiving tremendous attention. Among them, zeolites are the most famous class due to their wide applications on petrochemistry and gas separation. Besides zeolites, the other oxide framework materials are also intensively investigated because of their diverse structures and compositions. Metal-organic frameworks are built from metal clusters and organic linkers. By rational designing the reagent, the network with desired topology and functionality can be synthesized.

For all of the framework materials mentioned above, to explore novel framework structures is important for improving properties and discovering new applications. This thesis includes the synthesis of zeolites and structure characterization for various types of inorganic framework materials. The zeolite synthesis conditions was exploited. With the optimized condition, the zeolite ITQ-33 was synthesized as single crystals. From the single crystal X-ray diffraction data, the disorder in the structure is discovered and explained. Following the topic of disorder and twinning, we proposed a novel method of solving structure of pseudo-merohedric twinning crystal by using an example of a metal-organic complex crystal. Then we also showed methods for solving structures of high complexity and nano-crystal by using mainly powder X-ray diffraction and transmission electron microscopy. Four examples were shown in chapter 4 including open-framework germanates and metal-organic frameworks.

Place, publisher, year, edition, pages
Department of Materials and Environmental Chemistry (MMK), Stockholm University, 2014. 86 p.
Keyword
X-ray diffraction, transmission electron microscopy, framework materials, porous materials
National Category
Inorganic Chemistry
Research subject
Inorganic Chemistry
Identifiers
urn:nbn:se:su:diva-102816 (URN)978-91-7447-913-3 (ISBN)
Public defence
2014-05-28, Magnélisalen, Kemiska övningslaboratoriet, Svante Arrhenius väg 16 B, Stockholm, 10:00 (English)
Opponent
Supervisors
Note

At the time of the doctoral defence the following paper was unpublished and a status as follows: Paper  4: Manuscript

Available from: 2014-05-06 Created: 2014-04-22 Last updated: 2014-05-02Bibliographically approved

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