Figure 6.

(a) 3D contour map of the change of electronic density upon formation of the adduct HMTA/NBS (1:1). Blue (red) isosurfaces identify regions in which the electron density increases (decreases). Density value at the isosurfaces: ± 2 me/bohr³. (b) CD functions for HMTA/NBS adducts with different stoichiometry. The black dots represent the z coordinate (or the range of coordinates) of the atoms. The light blue vertical band identifies the range of the inter-fragment boundaries. (Reproduced from Reference 64 with permission from The Royal Society of Chemistry).