Y-aromaticity - existing: yes or no? An answer given on the magnetic criterion (TSNMRS)
- The spatial magnetic properties (Through Space NMR Shieldings - TSNMRS) of a number of Y-shaped structures possessing 4n+2 pi-electrons (i.a. the trimethylenemethane ions TMM2+, TMM2-, the guanidinium cation, substituted and hetero analogues) have been computed, visualized as Isochemical Shielding Surfaces (ICSS) of various size and direction, were examined subject to present Y-aromaticity and the results compared with energetic and geometric criteria obtained already. (C) 2016 Elsevier Ltd. All rights reserved.
Author details: | Erich KleinpeterORCiDGND, Andreas KochORCiDGND |
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DOI: | https://doi.org/10.1016/j.tet.2016.02.020 |
ISSN: | 0040-4020 |
Title of parent work (English): | Tetrahedron |
Publisher: | Elsevier |
Place of publishing: | Oxford |
Publication type: | Article |
Language: | English |
Year of first publication: | 2016 |
Publication year: | 2016 |
Release date: | 2020/03/22 |
Tag: | ICSS; TSNMRS; Theoretical calculations; Y-aromaticity; pi-Electron delocalization |
Volume: | 72 |
Number of pages: | 11 |
First page: | 1675 |
Last Page: | 1685 |
Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie |
Peer review: | Referiert |