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Applications of Total Scattering & Pair Distribution Function Analysis in Metal-Organic Framework Materials

Research output: Contribution to conferencePosterResearch

Metal-Organic Frameworks (MOFs) is constructed by metal-oxide nodes and organic ligands. The formation of different structures of metal-oxide nodes (also called secondary building units, SBU) is crucial for MOF final structures, because the connectivity of SBU greatly influence the final MOF structure. At the same time, there is an ongoing debate on whether the SBU is present prior, or during MOF crystallization in MOF chemistry. However, little is known about MOFs formation mechanism.

Currently techniques to study the in situ MOF formation process mainly focused on after-crystallization process, for example in situ XRD and SAXS/WAXS study on MOF formation. However, the pre-crystallization process in the early stage of MOF formation is still unexplored.

In this project, total scattering and PDF study will be carried out to explore the MOF formation process in early stage. This includes two main goals: (a) PDF compare to experimentally provide some evidence on whether the SBU presents prior to MOF crystallization; (b) PDF modelling to explore the structural evolution of metal salt precursors to metal-oxide nodes during MOF crystallization process.
Original languageEnglish
Publication year24 Nov 2016
Number of pages1
Publication statusPublished - 24 Nov 2016
EventCMC excursion -
Duration: 24 Nov 201626 Nov 2016


WorkshopCMC excursion

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