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

Hui Xu; Steinar Birgisson; Sanna Sommer; Lirong Song; Nils Lau Nyborg Broge; Dipankar Saha; Hazel Reardon; Bo Brummerstedt Iversen

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

Hui Xu, Steinar Birgisson, Sanna Sommer, Lirong Song, Nils Lau Nyborg Broge, Dipankar Saha, Hazel Reardon, Bo Brummerstedt Iversen

Research output: Contribution to conference › Poster › Research

Abstract

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 language	English
Publication date	24 Nov 2016
Number of pages	1
Publication status	Published - 24 Nov 2016
Event	CMC excursion - Duration: 24 Nov 2016 → 26 Nov 2016

Workshop

Workshop	CMC excursion
Period	24/11/2016 → 26/11/2016

Cite this

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title = "Applications of Total Scattering & Pair Distribution Function Analysis in Metal-Organic Framework Materials",

abstract = " 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. ",

author = "Hui Xu and Steinar Birgisson and Sanna Sommer and Lirong Song and Broge, {Nils Lau Nyborg} and Dipankar Saha and Hazel Reardon and Iversen, {Bo Brummerstedt}",

year = "2016",

month = nov,

day = "24",

language = "English",

note = "CMC excursion ; Conference date: 24-11-2016 Through 26-11-2016",

}

TY - CONF

T1 - Applications of Total Scattering & Pair Distribution Function Analysis in Metal-Organic Framework Materials

AU - Xu, Hui

AU - Birgisson, Steinar

AU - Sommer, Sanna

AU - Song, Lirong

AU - Broge, Nils Lau Nyborg

AU - Saha, Dipankar

AU - Reardon, Hazel

AU - Iversen, Bo Brummerstedt

PY - 2016/11/24

Y1 - 2016/11/24

N2 - 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.

AB - 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.

M3 - Poster

T2 - CMC excursion

Y2 - 24 November 2016 through 26 November 2016

ER -

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

Abstract

Workshop

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