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.
Author details: | Bagrat A. Shainyan, Mikhail Yu Moskalik, Matthias HeydenreichORCiD, Erich KleinpeterORCiDGND |
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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 |