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. Author manuscript; available in PMC: 2016 Dec 7.
Published in final edited form as: J Org Chem. 2016 Jul 7;81(14):5998–6006. doi: 10.1021/acs.joc.6b00948

Figure 7.

Figure 7

Electrostatic potential maps calculated at the B3LYP/6-31G(d) level of theory on M06-2X/6-31+G(2d,p) geometries. NBO charges (italics) were calculated at the M06-2X/6-31+G(2d,p) level of theory and include solvation corrections (water) on gas-phase geometries with the IEFPCM model (radii=UFF).