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 π-electrons (i.a. the trimethylenemethane ions TMM2+, TMM2−, the guanidinium cation, substituted and hetero analogues) have been computed, visualized as Isochemical Shielding Su...
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| Published in | Tetrahedron Vol. 72; no. 13; pp. 1675 - 1685 |
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| Main Authors | , |
| Format | Journal Article |
| Language | English |
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Elsevier Ltd
31.03.2016
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| Abstract | The spatial magnetic properties (Through Space NMR Shieldings – TSNMRS) of a number of Y-shaped structures possessing 4n+2 π-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.
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| AbstractList | The spatial magnetic properties (Through Space NMR Shieldings – TSNMRS) of a number of Y-shaped structures possessing 4n+2 π-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. 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 TMM super(2+), TMM super(2-), 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. The spatial magnetic properties (Through Space NMR Shieldings – TSNMRS) of a number of Y-shaped structures possessing 4n+2 π-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. [Display omitted] |
| Author | Koch, Andreas Kleinpeter, Erich |
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| Keywords | ICSS π-Electron delocalization TSNMRS Y-aromaticity Theoretical calculations |
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| Snippet | The spatial magnetic properties (Through Space NMR Shieldings – TSNMRS) of a number of Y-shaped structures possessing 4n+2 π-electrons (i.a. the... The spatial magnetic properties (Through Space NMR Shieldings - TSNMRS) of a number of Y-shaped structures possessing 4n+2 pi -electrons (i.a. the... |
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| SubjectTerms | Cations chemical reactions chemical structure Computation Criteria geometry guanidinium ICSS Magnetic properties Nuclear magnetic resonance nuclear magnetic resonance spectroscopy Shielding Tetrahedrons Theoretical calculations TSNMRS Y-aromaticity π-Electron delocalization |
| Title | Y-aromaticity – existing: yes or no? An answer given on the magnetic criterion (TSNMRS) |
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