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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Bibliographic Details
Published inTetrahedron Vol. 72; no. 13; pp. 1675 - 1685
Main Authors Kleinpeter, Erich, Koch, Andreas
Format Journal Article
LanguageEnglish
Published Elsevier Ltd 31.03.2016
Subjects
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
ICSS
π-Electron delocalization
TSNMRS
Y-aromaticity
Theoretical calculations
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Summary: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]
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:0040-4020
1464-5416
DOI:10.1016/j.tet.2016.02.020