0000000000761181

AUTHOR

Ingo Schnell

showing 2 related works from this author

Determining the Geometry of Hydrogen Bonds in Solids with Picometer Accuracy by Quantum-Chemical Calculations and NMR Spectroscopy

2005

The structure of multiply hydrogen-bonded systems is determined with picometer accuracy by a combined solid-state NMR and quantum-chemical approach. On the experimental side, advanced 1H-15N dipolar recoupling NMR techniques are capable of providing proton-nitrogen distances of up to about 250 pm with an accuracy level of +/-1 pm for short distances (i.e., around 100 pm) and +/-5 pm for longer ones (i.e., 180 to 250 pm). The experiments were performed under fast magic-angle spinning, which ensures sufficient dipolar decoupling and spectral resolution of the 1H resonance lines. On the quantum-chemical side, the structures of the hydrogen-bonded systems were computationally optimised, yieldin…

Models MolecularMagnetic Resonance SpectroscopyNitrogenCrystallography X-RayMolecular physicsResonance (particle physics)Nuclear magnetic resonanceScattering RadiationPhysical and Theoretical ChemistrySpectral resolutionModels StatisticalNitrogen IsotopesChemistry PhysicalScatteringChemistryChemical shiftReproducibility of ResultsPicometreHydrogen BondingPulse sequenceNuclear magnetic resonance spectroscopyModels TheoreticalAtomic and Molecular Physics and OpticsOxygenDipoleModels ChemicalProtonsDimerizationChemPhysChem
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Self-assembly of programmed building blocks into structurally uniform dendrimers.

2005

Selective and independent dimerization of tri- and tetraurea derivatives was used to build up dendritic assemblies which are uniform in size and structure. Dendrimers with the total molecular masses of about 25 000 g/mol were obtained. The existence of uniform assemblies was proved by 1H and 1H DOSY NMR experiments and also by dynamic light scattering.

Models MolecularMagnetic Resonance SpectroscopyStereochemistryChemistryOrganic solventMolecular ConformationHydrogen BondingGeneral ChemistryBiochemistrySolution structureCatalysisMolecular aggregationCrystallographyColloid and Surface ChemistryDynamic light scatteringPhenolsDendrimerCalixareneUreaSelf-assemblyCalixarenesJournal of the American Chemical Society
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