Fig 1.
Molecular electrostatic potential surfaces (isovalue= 0.001 a.u.) calculated at the B97-D3/Def2-TZVP level of theory for compounds 1+ and 5 along with congeners lacking methanesulfonyl substituents indicate areas of rich electron density (red) and depleted electron density (blue). Vs,max values shown for the σ-holes.
