Flexible metal-organic framework compounds: In situ studies for selective CO2 capture

Allen, Andrew J.; Espinal, Laura; Wong‐Ng, W.; Queen, Wendy L.; Brown, Craig M.; Kline, S. J.; Kauffman, Kristi L.; Culp, Jeffrey T.; Matranga, Christopher

doi:10.1016/j.jallcom.2015.05.148

Cited by 24 publications

(16 citation statements)

References 92 publications

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“…Related to ongoing work by some of the authors, Fig. 4( a ) presents combined USAXS/SAXS/WAXS data on a log–log scale for supercritical CO 2 adsorption in a model flexible MOF, denoted NiBpene (Allen et al, 2015), while Fig. 4( b ) shows the XRD data for the system plotted using linear scales.…”

Section: In Situ and Operando Studies Using New Usaxs/saxs/ Waxs Capamentioning

confidence: 99%

Development of combined microstructure and structure characterization facility for in situ and operando studies at the Advanced Photon Source

et al. 2018

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Following many years of evolutionary development, first at the National Synchrotron Light Source, Brookhaven National Laboratory, and then at the Advanced Photon Source (APS), Argonne National Laboratory, the APS ultrasmall-angle X-ray scattering (USAXS) facility has been transformed by several new developments. These comprise a conversion to higher-order crystal optics and higher X-ray energies as the standard operating mode, rapid fly scan measurements also as a standard operational mode, automated contiguous pinhole small-angle X-ray scattering (SAXS) measurements at intermediate scattering vectors, and associated rapid wide-angle X-ray scattering (WAXS) measurements for X-ray diffraction without disturbing the sample geometry. With each mode using the USAXS incident beam optics upstream of the sample, USAXS/SAXS/WAXS measurements can now be made within 5 min, allowing in situ and operando measurement capabilities with great flexibility under a wide range of sample conditions. These developments are described, together with examples of their application to investigate materials phenomena of technological importance. Developments of two novel USAXS applications, USAXSbased X-ray photon correlation spectroscopy and USAXS imaging, are also briefly reviewed.

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Section: In Situ and Operando Studies Using New Usaxs/saxs/ Waxs Capamentioning

confidence: 99%

Development of combined microstructure and structure characterization facility for in situ and operando studies at the Advanced Photon Source

et al. 2018

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“…A seminal work based on the controllable gas capturing and releasing was reported by Matranga and co-workers [149]. They investigated 3D and 1D porous coordination polymers (PCP), with different degrees of flexibility and similar gate opening pressure response towards CO 2 .…”

Section: Guest Capturementioning

confidence: 99%

Flexibility in Metal–Organic Frameworks: A Basic Understanding

et al. 2019

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Much has been written about the fundamental aspects of the metal–organic frameworks (MOFs). Still, details concerning the MOFs with structural flexibility are not comprehensively understood. However, a dramatic increase in research activities concerning rigid MOFs over the years has brought deeper levels of understanding for their properties and applications. Nonetheless, robustness and flexibility of such smart frameworks are intriguing for different research areas such as catalysis, adsorption, etc. This manuscript overviews the different aspects of framework flexibility. The review has touched lightly on several ideas and proposals, which have been demonstrated within the selected examples to provide a logical basis to obtain a fundamental understanding of their synthesis and behavior to external stimuli.

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Section: Introductionmentioning

confidence: 99%

“…NiBpene has been the subject of several studies by some of the present authors [23,39,40,43,44,45]. It has a characteristic CO 2 adsorption/desorption isotherm exhibiting hysteresis between the adsorption and desorption branches and also features on the desorption branches that have been associated with structural changes, as measured by neutron diffraction (ND) and small-angle neutron scattering (SANS) [45]. Using single-crystal X-ray diffraction (XRD), it has been possible to achieve an a priori crystal structure determination, at least under conditions where ligands and solvents of crystallization, i.e., dimethyl sulfoxide (DMSO) and water molecules, occupy the nanoscale pores as a result of the crystallization technique used [44].…”

Section: Introductionmentioning

confidence: 99%

“…In summary, due to the variable configuration of the flexible pillared structure, broad peaks in the diffraction pattern can prove challenging for structural analysis across all of the ranges of adsorption/desorption conditions of interest [45]. Nevertheless, progress has been sufficient to enable density functional theory (DFT), which has been applied previously by some of the present authors to the case of CO 2 adsorption in a 1D molecular sieve [46], to be applied to CO 2 adsorption in NiBpene.…”

Section: Introductionmentioning

confidence: 99%

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Structural Basis of CO2 Adsorption in a Flexible Metal-Organic Framework Material

et al. 2019

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This paper reports on the structural basis of CO2 adsorption in a representative model of flexible metal-organic framework (MOF) material, Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4] (NiBpene or PICNIC-60). NiBpene exhibits a CO2 sorption isotherm with characteristic hysteresis and features on the desorption branch that can be associated with discrete structural changes. Various gas adsorption effects on the structure are demonstrated for CO2 with respect to N2, CH4 and H2 under static and flowing gas pressure conditions. For this complex material, a combination of crystal structure determination and density functional theory (DFT) is needed to make any real progress in explaining the observed structural transitions during adsorption/desorption. Possible enhancements of CO2 gas adsorption under supercritical pressure conditions are considered, together with the implications for future exploitation. In situ operando small-angle neutron and X-ray scattering, neutron diffraction and X-ray diffraction under relevant gas pressure and flow conditions are discussed with respect to previous studies, including ex situ, a priori single-crystal X-ray diffraction structure determination. The results show how this flexible MOF material responds structurally during CO2 adsorption; single or dual gas flow results for structural change remain similar to the static (Sieverts) adsorption case, and supercritical CO2 adsorption results in enhanced gas uptake. Insights are drawn for this representative flexible MOF with implications for future flexible MOF sorbent design.

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Flexible metal-organic framework compounds: In situ studies for selective CO2 capture

Cited by 24 publications

References 92 publications

Development of combined microstructure and structure characterization facility for in situ and operando studies at the Advanced Photon Source

Development of combined microstructure and structure characterization facility for in situ and operando studies at the Advanced Photon Source

Flexibility in Metal–Organic Frameworks: A Basic Understanding

Structural Basis of CO2 Adsorption in a Flexible Metal-Organic Framework Material

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