Solid-state NMR of small molecule adsorption in metal–organic frameworks (MOFs)

Breaking the trade-off between selectivity and adsorption capacity for gas separation

“…Solid-state NMR spectroscopy is a powerful technique for investigating the behavior of gaseous molecules adsorbed by porous materials. [63][64][65] To better understand the adsorptive properties of the HUMs studied herein, 13 C and 2 H static solid-state NMR experiments were conducted to directly monitor the behavior of 13 The position of the sharp signal indicates that this signal is from adsorbed CO 2 . The sharpness of the resonance suggests that CO 2 molecules are rather mobile, implying weak interaction of CO 2 with the framework.…”

“…Solid-state NMR spectroscopy is a powerful technique for investigating the behavior of gaseous molecules adsorbed by porous materials. 63 , 64 , 65 To better understand the adsorptive properties of the HUMs studied herein, 13 C and 2 H static solid-state NMR experiments were conducted to directly monitor the behavior of 13 CO 2 and C 2 D 2 molecules adsorbed by NbOFFIVE-3-Cu . Figure S64 illustrates the 13 C NMR spectra of NbOFFIVE-3-Cu loaded with 13 C-labeled CO 2 at various temperatures.…”

Origin of the temperature dependence of 13C pNMR shifts for copper paddlewheel MOFs

“…[6][7][8] Solid-state NMR spectroscopy is frequently used to study MOFs, enabling the binding of guest molecules, the dynamics of guest species within the pores, and any structural changes that can result from these to be explored. [9][10][11][12] MOFs that contain paramagnetic metal centres pose a particular challenge for NMR spectroscopy, but such materials often have interesting and useful physical and chemical properties that can be exploited. HKUST-1 is a MOF containing Cu(II) paddlewheel dimers linked by BTC (Fig.…”

Insights into the Interaction between Immobilized Biocatalysts and Metal–Organic Frameworks: A Case Study of PCN-333

“… 28 − 30 For example, Fragai et al 31 showed that the three-dimensional structures of the enzymes were retained after immobilization in a peptide-templated silica gel. Indeed, ssNMR spectroscopy has been applied as a general approach to study MOFs and their interactions with small guest species 32 (e.g., H 2 , 33 xenon, 34 CO, 35 CO 2 , 36 , 37 nitric oxide, 38 H 2 O, 39 hydrocarbon, 40 aromatics, 41 , 42 etc. ), providing complementary information for host–guest interaction.…”

“…In recent years, methodological developments have led solid-state nuclear magnetic resonance (ssNMR) to be one of the most powerful tools for determining the local structure and dynamics of various materials, including proteins, catalysts, biomaterials, pharmaceuticals, metal–organic materials, and so on. − For example, Fragai et al showed that the three-dimensional structures of the enzymes were retained after immobilization in a peptide-templated silica gel. Indeed, ssNMR spectroscopy has been applied as a general approach to study MOFs and their interactions with small guest species (e.g., H 2 , xenon, CO, CO 2 , , nitric oxide, H 2 O, hydrocarbon, aromatics, , etc. ), providing complementary information for host–guest interaction .…”