On the Treatment of Conformational Flexibility when Using Residual Dipolar Couplings for Structure Determination
| Autor: | Volker Schmidts, Robert Berger, Arnold Maliniak, Christina M. Thiele, Iria Louzao, Benjamin Böttcher, Baltzar Stevensson |
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| Rok vydání: | 2009 |
| Předmět: |
Magnetic Resonance Spectroscopy
Molecular Structure Chemistry Molecular Conformation Eckart conditions Stereoisomerism General Medicine General Chemistry Nuclear magnetic resonance spectroscopy Acyl-Butyrolactones Ethylenes Residual Catalysis Dipole Superposition principle Computational chemistry Residual dipolar coupling Molecule Conformational isomerism |
| Zdroj: | Angewandte Chemie International Edition. 48:6708-6712 |
| ISSN: | 1521-3773 1433-7851 |
| Popis: | Mission possible! The motional averaging of NMR spectroscopic data complicates the determination of conformation and relative configuration in flexible organic molecules. Two alternative routes are discussed for the treatment of conformational equilibrium in a moderately flexible compound (see the superposition of the two conformers of the butyrolactone studied) when residual dipolar couplings are used. |
| Databáze: | OpenAIRE |
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