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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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Author:Bagrat A. Shainyan, Mikhail Yu Moskalik, Matthias Heydenreich, Erich Kleinpeter
ISSN:0749-1581 (print)
ISSN:1097-458X (online)
Pubmed Id:http://www.ncbi.nlm.nih.gov/pubmed?term=24915750
Parent Title (English):Magnetic resonance in chemistry
Place of publication:Hoboken
Document Type:Article
Year of first Publication:2014
Year of Completion:2014
Release Date:2017/03/27
Tag:C-13; Conformational equilibrium; Dynamic NMR; F-19; H-1; NMR; restricted N-S rotation
First Page:448
Last Page:452
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie
Peer Review:Referiert