Solid-state NMR results for zeolitic frameworks
Investigation of zeolitic imidazolate frameworks using 13C and 15N solid state NMR spectroscopy
... T Zeolitic imidazolate frameworks (ZIFs) are a subclass of metal-organic frameworks (MOFs) with extended three- dimensional networks of transition metal nodes (bridged by rigid imidazolate linkers), ...
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Dynamic studies of guest molecules in Metal-Organic Frameworks using Solid-State NMR
... Only a few studies have demonstrated the guest-host interaction of α-Mg formate due to its relatively small pore size compared to other types of MOFs. 11 In Kimoom Kim’s work, 6 α-Mg formate shows exceptional selectivity ...
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Exploiting isotopic enrichment for a solid state NMR investigation of “ADORable” zeolites and breathing metal organic frameworks
... materials. Solid-state characterisation of these compounds usually combines local and space-averaged structure determination by spectroscopy and XRD, ...
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Studying Metal-Organic Frameworks via Solid-State NMR: Gas Dynamics, Structure Determination, and Phase Transition
... Static VT 2 H SSNMR experiments of singly-deuterated CH 3 D guests confirmed that only one crystallographically unique methane adsorption site exists in each MOF at the experimental guest loading levels. The appearance ...
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Continuous Wave NMR Imaging in the Solid State
... intensity results from a loss of water from the sample, rather than a loss of signal due to an increasing proportion of chemically-combined water as the hydration ...
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Solid-State NMR Investigations of Carbon Dioxide Gas in Metal-Organic Frameworks: Insights into Molecular Motion and Adsorptive Behavior.
... The relaxation mechanism associated with adsorbed CO 2 is more commonly described in the context of adsorbed liquids. Here, reorientation mediated by translational displacements occurs when interactions with the surface ...
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High resolution solid state 13C NMR spectroscopy of the paramagnetic metal organic frameworks, STAM 1 and HKUST 1
... C NMR spectra of paramagnetic MOFs have been based predominantly on the principle that nuclei closer to the paramagnetic centre are expected to have a larger paramagnetic contribution to the observed isotropic ...
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Solid-state NMR of Complex Nano- and Microcrystalline Materials
... microwaves results in enhanced polarization of the nuclei (most often protons) that are in close proximity to the polarizing ...DNP-enhanced solid-state NMR can be applied to organic solids, ...
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Solid-State NMR of Quadrupolar Nuclei for Structural Elucidation
... 110 Unfortunately, the theoretical NS tensor parameters exhibit even poorer correlation with experiment, (Figures B2, B3, and B4), suggesting that plane-wave methods may not provide adequate chlorine NS tensor ...
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Multinuclear solid state NMR for the characterisation of inorganic materials
... 66 potential SDA, thereby avoiding high pressures. 6,7 The role of SDAs is primarily considered to be as ‘space-fillers’, stabilising open frameworks over dense phases of similar composition. SDAs may direct a ...
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Combining solid state NMR spectroscopy with first principles calculations – a guide to NMR crystallography
... of NMR crystallography, and more generally of NMR spectroscopy, to determine detailed structural information, has significantly grown in popularity in recent ...This results, in part, from ...
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Diffraction and Solid State NMR Studies of Inorganic Framework Materials.
... correlated results with the experimental ...the NMR interaction parameters could be ...WIEN2K, NMR- CASTEP and Gaussian ...the NMR interactions, as many of the structures used were only ...
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Solid state NMR studies of inorganic pigment materials and catalysts
... Figure 4.15: Chemical Shift Convention 4.5.5 Combined CSA and Quadrupolar Interaction Due to the chemical shift tensor and the electric field gradient tensor not generally having the same principal axis system, it is ...
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Development of solid state NMR techniques for the characterisation of pharmaceutical compounds
... DFT GIPAW calculations are introduced. Chapter 4 concerns the effect of homonuclear decoupling upon CH heteronu- clear couplings, which was established using a combination of experiment and density- matrix simulations. ...
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Intermolecular interactions and protein dynamics by solid state NMR spectroscopy
... Proper quantification of the amplitudes and time scales of motions for GB1 in the complex will require further extensive measurements and a far more involved analysis (our results suggest that motions occurring at ...
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Characterisation of inorganic materials using solid state NMR spectroscopy
... interpreting solid-state NMR spectra. Initially, solid-state NMR spectra were interpreted by comparing observed results with known reference systems (compiled in databases ...
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Solid-state NMR applied to photosynthetic light-harvesting complexes
... how solid-state NMR has provided a mechanistic and electronic picture of pigment–protein and pigment–pigment interactions in photosynthetic antenna ...complexes. NMR results on purple ...
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Structure of (KIAGKIA)3 Aggregates in Phospholipid Bilayers by Solid-State NMR
... REDOR results do not support the presence of tightly packed large aggregates, the results are consistent with loosely packed aggregates of dimers and ...
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Computing of 93Nb NMR Parameters of Solid-State Niobates. The Geometry Matters
... Figure 2. 93 Nb quadrupolar interaction parameters computed for X-ray and optimized structures of twelve structures: quadrupolar coupling constant, C Q , in MHz (a) and asymmetry parameter, Q (b). Chemical shift ...
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Dipolar recoupling in solid state NMR by phase alternating pulse sequences
... It is evident from the simulation results in Fig. 7 and the experimental data in Fig. 8 that the PAMORE experiment is significantly less sensitive to rf-inhomogeneity. Here we have used modest rf-power of 48 kHz ...
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