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Measurement of Residual Dipolar Couplings of Organic Molecules in Multiple Solvent Systems Using a Liquid‐Crystalline‐Based Medium

Si‐Yong Qin, Yan Jiang, Han Sun, Han Liu, Ai‐Qing Zhang, Xinxiang Lei

2020Angewandte Chemie International Edition53 citationsDOI

Abstract

Abstract Residual dipolar coupling (RDC), a robust anisotropic NMR parameter for structural elucidation of organic molecules, is only accessible in an anisotropic environment. Herein, we introduce a novel alignment medium based on the molecular self‐assembly of oligopeptide amphiphile (OPA). This medium is compatible with different intermediate and polar solvent systems, such as CD 3 OD, [D 6 ]DMSO, and D 2 O. The preparation of the OPA‐based medium is simple and rapid, while only very weak background signals were observed from OPAs. Furthermore, we show that the purity of OPA has only a minor influence on the quality of the RDC data. These advantages allow RDC measurements of organic molecules with different polarities and solubilities with high efficiency and accuracy.

Topics & Concepts

ResidualResidual dipolar couplingDipoleOrganic moleculesChemical physicsSolventLiquid crystallineMoleculeLiquid crystalOrganic solventMaterials scienceComputational chemistryChemistryCondensed matter physicsPhysicsOrganic chemistryChemical engineeringComputer scienceEngineeringAlgorithmMolecular spectroscopy and chiralitySpectroscopy and Quantum Chemical StudiesAnalytical Chemistry and Chromatography
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