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On the Treatment of Conformational Flexibility when Using Residual Dipolar Couplings for Structure Determination
Clemens Schöpf Institut für Organische Chemie und Biochemie, Technische Universität Darmstadt, Petersenstrasse 22, 64287 Darmstadt (Germany).
Clemens Schöpf Institut für Organische Chemie und Biochemie, Technische Universität Darmstadt, Petersenstrasse 22, 64287 Darmstadt (Germany).
Clemens Schöpf Institut für Organische Chemie und Biochemie, Technische Universität Darmstadt, Petersenstrasse 22, 64287 Darmstadt (Germany).
Clemens Schöpf Institut für Organische Chemie und Biochemie, Technische Universität Darmstadt, Petersenstrasse 22, 64287 Darmstadt (Germany). On leave from: Departamento de Química Orgánica, Facultad de Química, Universidad de Santiago de Compostela, 15782 Santiago de Compostela (Spain) .
Vise andre og tillknytning
2009 (engelsk)Inngår i: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 48, nr 36, s. 6708-6712Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

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.

sted, utgiver, år, opplag, sider
Weinheim: WILEY-VCH Verlag GmbH & Co. KGaA , 2009. Vol. 48, nr 36, s. 6708-6712
Emneord [en]
Eckart conditions, motional averaging, NMR spectroscopy, residual dipolar coupling, structure elucidation
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URN: urn:nbn:se:su:diva-36823DOI: 10.1002/anie.200902398ISI: 000269361300031OAI: oai:DiVA.org:su-36823DiVA, id: diva2:290479
Tilgjengelig fra: 2010-01-27 Laget: 2010-01-27 Sist oppdatert: 2020-03-04bibliografisk kontrollert

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Forlagets fullteksthttp://www3.interscience.wiley.com/journal/122536709/abstract

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