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Figure 6
(a) Calculated ball-and-stick structure of the di-p-fluorophenylbromonium cation, 4. Color code: gray, carbon; white, hydrogen; light blue, fluorine; dark red, bromine. (b) Computed electrostatic potential on the 0.001 a.u. surface of cation 4, showing the same view as in (a). Color ranges, in kcal mol−1: red, greater than 100; yellow, between 100 and 85; green, between 85 and 75; blue, less than 75. The black hemispheres indicate the most positive potentials of the bromine σ-holes, on the extensions of the C—Br bonds; the black sphere in the center corresponds to another potential maximum.

Volume 4| Part 4| July 2017| Pages 411-419
ISSN: 2052-2525