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Annulenium ions

Computed GIAO-NMR chemical shifts were compared with the experimental data when available, and the optimized geometries were compared with the X-ray data if known. The lowest energy annulenium cation derived from 76 and 77 (both cis) was formed by protonation at C-1, and this was in concert with experimental observation of 76H" in superacid media. " The resulting annulenium ions were less delocalized than those via 74 and 75. DFT and stable ion study were also in concert regarding the protonation of 78. The availability of X-ray structures and stable ion NMR data for the dieations and dianions of 78 and 79 enabled comparison with the DFT-optimized structures and GIAO-NMR shifts. [Pg.171]

Cyclic ions may also be classified as annulenes, for example the cyclo-pentadienide and tropylium ions could be described as [5]annulcnide and [7]annulenium ions respectively. [Pg.148]

See other pages where Annulenium ions is mentioned: [Pg.131]    [Pg.148]    [Pg.171]    [Pg.200]    [Pg.320]    [Pg.323]    [Pg.98]    [Pg.131]    [Pg.148]    [Pg.171]    [Pg.200]    [Pg.320]    [Pg.323]    [Pg.98]   
See also in sourсe #XX -- [ Pg.289 ]

See also in sourсe #XX -- [ Pg.200 ]

See also in sourсe #XX -- [ Pg.289 ]

See also in sourсe #XX -- [ Pg.97 , Pg.289 ]



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