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Hexahydroxytriphenylene for the synthesis of group 13 MOFs - a new inorganic building unit in a beta-cristobalite type structure
Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för material- och miljökemi (MMK).ORCID-id: 0000-0002-6020-9178
Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för material- och miljökemi (MMK).ORCID-id: 0000-0001-9118-1342
Vise andre og tillknytning
Rekke forfattare: 132020 (engelsk)Inngår i: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 49, nr 10, s. 3088-3092Artikkel i tidsskrift (Fagfellevurdert) 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.

sted, utgiver, år, opplag, sider
2020. Vol. 49, nr 10, s. 3088-3092
HSV kategori
Identifikatorer
URN: urn:nbn:se:su:diva-181175DOI: 10.1039/d0dt00235fISI: 000519895500033PubMedID: 32051978OAI: oai:DiVA.org:su-181175DiVA, id: diva2:1429301
Tilgjengelig fra: 2020-05-09 Laget: 2020-05-09 Sist oppdatert: 2022-05-18bibliografisk kontrollert
Inngår i avhandling
1. Crystal Structure Determination by 3D Electron Diffraction — New Software for Facilitating Data Processing
Åpne denne publikasjonen i ny fane eller vindu >>Crystal Structure Determination by 3D Electron Diffraction — New Software for Facilitating Data Processing
2022 (engelsk)Licentiatavhandling, med artikler (Annet vitenskapelig)
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.

sted, utgiver, år, opplag, sider
Stockholm: Stockholm University, 2022
HSV kategori
Forskningsprogram
oorganisk kemi
Identifikatorer
urn:nbn:se:su:diva-204708 (URN)978-91-7911-001-7 (ISBN)
Presentation
2022-06-15, Magnéli hall, Stockholm, 10:00 (engelsk)
Opponent
Veileder
Tilgjengelig fra: 2022-05-18 Laget: 2022-05-18 Sist oppdatert: 2022-05-18bibliografisk kontrollert

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

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