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Figure 4
Calculated ball-and-stick structure of (a) diphenyliodonium cation (1) and of (c) dibenzo[b,d]iodonium cation (2). Color code: gray, carbon; white, hydrogen; purple, iodine. Computed electrostatic potential on the 0.001 a.u. surface of cations 1 (b) and 2 (d) showing the same view as in (a) and (c), respectively. 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 iodine σ-holes on the extensions of the C—I bonds; the black sphere in (b) at the center corresponds to another potential maximum.

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