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Hexahydroxytriphenylene for the synthesis of group 13 MOFs - a new inorganic building unit in a beta-cristobalite type structure
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).ORCID iD: 0000-0002-6020-9178
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).ORCID iD: 0000-0001-9118-1342
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Number of Authors: 132020 (English)In: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 49, no 10, p. 3088-3092Article in journal (Refereed) Published
Abstract [en]

Two new, microporous MOFs of framework composition ((CH3)(2)NH2)(2)[M3O(HHTP)(HHTP center dot)], M = Al3+, Ga3+, H6HHTP = 2,3,6,7,10,11-hexahydroxytriphenylene, are described. Electron diffraction combined with molecular simulations show that these compounds crystallize in the beta-cristobalite structure, containing a new type of trinuclear inorganic building unit for MOFs and radical anions.

Place, publisher, year, edition, pages
2020. Vol. 49, no 10, p. 3088-3092
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-181175DOI: 10.1039/d0dt00235fISI: 000519895500033PubMedID: 32051978OAI: oai:DiVA.org:su-181175DiVA, id: diva2:1429301
Available from: 2020-05-09 Created: 2020-05-09 Last updated: 2022-05-18Bibliographically approved
In thesis
1. Crystal Structure Determination by 3D Electron Diffraction — New Software for Facilitating Data Processing
Open this publication in new window or tab >>Crystal Structure Determination by 3D Electron Diffraction — New Software for Facilitating Data Processing
2022 (English)Licentiate thesis, comprehensive summary (Other academic)
Abstract [en]

Three-Dimensional Electron Diffraction (3DED) is a useful technique for determining crystal structures from very small crystals (hundreds of \si{\nano\meter} or less). Examples of such crystals are zeolites, metal-organic frameworks (MOFs), pharmaceuticals, and proteins. Knowledge of the structure is useful for understanding and potentially changing how the material or substance functions.

    This thesis includes the structure determination of the MOFs CAU-42 and CAU-45 as well as the development of the software \emph{Scipion-ED} in response to challenges during the processing of 3DED data from the two MOFs. Both MOFs displayed correlated disorder, where disorder in one part of the structure influences the configuration of disorder in nearby parts. The influence of the solvent during synthesis on the final structured is also discussed.

    The development and design of the software \emph{Scipion-ED} is described. It is a graphical user interface based on \emph{scipion-pyworkflow} for workflow-centric data processing. The described implementation includes the foundation for using \emph{Scipion} to process 3DED data, as well as a plugin for processing with \emph{DIALS}. Approaches are also described for extending the software to use \emph{XDS} or other programs.

Place, publisher, year, edition, pages
Stockholm: Stockholm University, 2022
National Category
Inorganic Chemistry
Research subject
Inorganic Chemistry
Identifiers
urn:nbn:se:su:diva-204708 (URN)978-91-7911-001-7 (ISBN)
Presentation
2022-06-15, Magnéli hall, Stockholm, 10:00 (English)
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Supervisors
Available from: 2022-05-18 Created: 2022-05-18 Last updated: 2022-05-18Bibliographically approved

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Bengtsson, Viktor E. G.Inge, Andrew KentaroWahiduzzaman, M.Jaworski, AleksanderXu, HongyiZou, Xiaodong

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Bengtsson, Viktor E. G.Inge, Andrew KentaroWahiduzzaman, M.Jaworski, AleksanderXu, HongyiZou, Xiaodong
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