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Anisotropic shielding surfaces

Scheme 4. Anisotropic shielding surface surrounding the nitrate anion. Scheme 4. Anisotropic shielding surface surrounding the nitrate anion.
Figure 1 Calculated ring current effects of 1,2-dloxln, 1,2-oxathlln, and 1,2-dithiin (in comparison with the ring current effects of cyclobuta-1,3-dlene, benzene and the anisotropic effect of buta-1,3-dlene) shielding isochemical shielding surface (ICSS) of -0.1 ppm, gray, and deshielding ICSS of 0.1 ppm, dark gray. Figure 1 Calculated ring current effects of 1,2-dloxln, 1,2-oxathlln, and 1,2-dithiin (in comparison with the ring current effects of cyclobuta-1,3-dlene, benzene and the anisotropic effect of buta-1,3-dlene) shielding isochemical shielding surface (ICSS) of -0.1 ppm, gray, and deshielding ICSS of 0.1 ppm, dark gray.
The aromatic surface of the capsule forms favorable CH-n interactions with included guests and provides anisotropic shielding of guest molecules. A map of induced magnetic shielding for the inner space was obtained through nucleus independent chemical shift (NICS) calculations. Comparison of these values with the experimentally measured H NMR upheld shifts provides a means to pinpoint the exact position of guest inside the capsule. [Pg.138]


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Anisotropic surfaces

Surface shielding

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