Figure 5
(a) Difference Fourier map calculated on the TPPM supramolecular network free of guest molecules. The electrostatic potential is reported as an orange surface {isosurface level 2.5σ[ΔV(r)]}, with the nitrogen atoms in blue, carbon atoms in light grey and hydrogen atoms in white. (b) View of the benzyl alcohol guest packed between two TPPM molecules in the TPPM·0.5BnOH crystal phase. For clarity, only one of the two possible orientations of the BnOH molecule is displayed. The oxygen atoms are represented in red, carbon atoms in grey, nitrogen atoms in blue and hydrogen atoms in white. The solvent molecule is shown in space-filling mode. |