Fig. 5: Three-dimensional representation of benzene-methanol contacts: Angular Radial Distribution Functions (ARDFs) and Spatial Density Functions (SDFs) .

a₁, b₁, c₁ Angular Radial Distribution Functions (ARDFs) for benzene ring centre -OH methanol, g (r, ϑ) where r is the distance between the sites and ϑ is the angle between the normal to the ring plane (z axis) and the O-H (a₁, b₁) and C-O axis (c₁). a₂, b₂, c₂ Spatial Density Functions (SDFs) showing the most likely positions for molecules in the first coordination shell (see Supplementary Note 1 for function definitions): a₂ shows the 30% most likely position methanol hydroxyl H (blue) and methanol O (orange) up to 3.1 Å and 3.7 Å, respectively from the benzene CoM; b₂ shows the 5% most likely position of methanol H and methanol O up to 6.8 Å; from the benzene CoM; c₂ shows the 10% most likely position of methanol C (green) up to 6.8 Å from the benzene CoM. Note that symmetric features in the SDF reflect the symmetry of benzene and for the latter reason are faded in the schematic of figure. a₂, b₂. Please see Supplementary Fig. 4 for comprehensive axis definitions and Supplementary Note 4 for definitions of the ARDF % likely positions.