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Conformational equilibrium and dynamic behavior of bis-N-triflyl substituted 3,8-diazabicyclo[3.2.1]octane

  • Restricted rotation about the N-S partial double bonds in a bis-N-triflyl substituted 3,8-diazabicyclo[3.2.1]octane derivative 1 has been frozen at low temperature (Delta G* = 11.6 kcal mol(-1)), and the existence of all four rotamers about the two N-S bonds, 3-in, 8-in, 3-in, 8-out, 3-out, 8-in, and 3-out, 8-out, respectively, proved experimentally by NMR spectroscopy and theoretically by DFT and MP2 calculations. Copyright (C) 2014 John Wiley & Sons, Ltd.

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Metadaten
Author details:Bagrat A. Shainyan, Mikhail Yu Moskalik, Matthias HeydenreichORCiD, Erich KleinpeterORCiDGND
DOI:https://doi.org/10.1002/mrc.4086
ISSN:0749-1581
ISSN:1097-458X
Pubmed ID:https://pubmed.ncbi.nlm.nih.gov/24915750
Title of parent work (English):Magnetic resonance in chemistry
Publisher:Wiley-Blackwell
Place of publishing:Hoboken
Publication type:Article
Language:English
Year of first publication:2014
Publication year:2014
Release date:2017/03/27
Tag:C-13; Conformational equilibrium; Dynamic NMR; F-19; H-1; NMR; restricted N-S rotation
Volume:52
Issue:8
Number of pages:5
First page:448
Last Page:452
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie
Peer review:Referiert
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