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(Anti)aromaticity of dehydroannulenes of various ring size proved by the ring current effect in H-1 NMR spectra

  • The spatial magnetic properties (Through-Space NMR Shieldings-TSNMRS) of already synthesized dehydro[n]annulenes of various ring size (from C-12 to C-20) have been computed, visualized as Isochemical Shielding Surfaces (ICSS) of various size and direction, and were examined subject to present (anti)aromaticity. For this purpose the thus quantified ring current effect of the macro cycles on proximate protons in proton NMR spectra was employed.

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Metadaten
Author:Erich Kleinpeter, Andreas Koch
DOI:https://doi.org/10.1016/j.tet.2012.12.019
ISSN:0040-4020 (print)
Parent Title (English):Tetrahedron
Publisher:Elsevier
Place of publication:Oxford
Document Type:Article
Language:English
Year of first Publication:2013
Year of Completion:2013
Release Date:2017/03/26
Tag:(Anti)aromaticity; Anisotropic effect; Dehydro[n]annulenes; H-1 NMR spectroscopy; ICSS; TSNMRS; Theoretical calculations
Volume:69
Issue:5
Pagenumber:8
First Page:1481
Last Page:1488
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie
Peer Review:Referiert