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 |
|---|---|
| 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 |
