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11744267648
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note
-
(a) The nucleus-independent chemical shift (NICS) is defined as the negative of the absolute magnetic shielding. Computed, for example, at the geometrical center of a ring (cage) molecule, significant negative NICS values imply diatropic ring currents and, hence, aromaticity. Paratropic ring currents are characterized by positive NICS values at or above ring centers,
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26
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0011190497
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33
-
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11744367674
-
-
note
-
s) is a classic example of hyperconjugation. Similarly, the hyperconjugation in 1 or 2 and 4 involves the interaction between the formally empty p-orbital on boron, B(p), in the equatorial plane of the trigonal bipyramid and the neighboring B-X bonds (B-X⋯B(p)).
-
-
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34
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0011777227
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Mo, Y.5
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35
-
-
11744360221
-
-
note
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3, they are 0.198 (N), 0.310 (CH), 0.995 (P), and 0.109 (SiH), respectively.
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36
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0003495717
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Bader, R. F. W. Atoms in Molecules; Oxford University Press: Oxford, U.K., 1994.
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