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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) .
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2009 (English)In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 48, no 36, 6708-6712 p.Article in journal (Refereed) 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.

Place, publisher, year, edition, pages
Weinheim: WILEY-VCH Verlag GmbH & Co. KGaA , 2009. Vol. 48, no 36, 6708-6712 p.
Keyword [en]
Eckart conditions, motional averaging, NMR spectroscopy, residual dipolar coupling, structure elucidation
National Category
Physical Chemistry
Research subject
Physical Chemistry
Identifiers
URN: urn:nbn:se:su:diva-36823DOI: 10.1002/anie.200902398ISI: 000269361300031OAI: oai:DiVA.org:su-36823DiVA: diva2:290479
Available from: 2010-01-27 Created: 2010-01-27 Last updated: 2017-12-12Bibliographically approved

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Publisher's full texthttp://www3.interscience.wiley.com/journal/122536709/abstract

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