Structure elucidation of a complex CO2-based organic framework material by NMR crystallography
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Structure determination of materials is key to understanding their physical properties. While single-crystal X-ray diffraction is the gold standard for structures displaying long-range order, many materials of interest are polycrystalline and/or disordered ...
Treatment of potassium salts of silole dianions with donor stabilised germanium dichlorides gave the anticipated silagermafulvenylidenes R2Si = Ge(Do) (R2Si = 1-silacyclopentadiendiyl, Do = N-heterocyclic carbene (NHC)) only as transient intermediates in a ...
NMR crystallography has been around for half a century, but with the advent of NMR crystal structure determination protocols in the last decade it has shown perspectives that were not seen before. Amalgamation of NMR and crystal structure determination has ...
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Niobic acid (Nb2O5 center dot nH(2)O) was immobilized on regenerated cellulose (Re-Cellulose) to afford a heterogeneous catalyst, termed Nb2O5 center dot nH(2)O@Re-Cellulose, that was characterized by powder X-ray diffraction, microscopy (SEM and TEM) and ...
Solid-state magic-angle spinning NMR spectroscopy is a powerful technique to probe atomic-level microstructure and structural dynamics in metal halide perovskites. It can be used to measure dopant incorporation, phase segregation, halide mixing, decomposit ...
The resolving power of solid-state nuclear magnetic resonance (NMR) crystallography depends heavily on the accuracy of computational predictions of NMR chemical shieldings of candidate structures, which are usually taken to be local minima in the potential ...
This work's objective was to develop a novel type of gliadin electrospun fiber with antibacterial properties by incorporating cuminaldehyde in the fibrous structure. Gliadin fibers containing various concentrations of cuminaldehyde were fabricated via an e ...
NMR-based crystallography approaches involving the combination of crystal structure prediction methods, ab initio calculated chemical shifts and solid-state NMR experiments are powerful methods for crystal structure determination of microcrystalline powder ...