Figure 3
(a) and (b) Two views of the dnorm map of the DTBA molecule within the range −0.274 to +0.862 arbitrary units, showing the short contacts highlighted as red spots with the intensity relative to the contact distances. Hydrogen bonds are indicated as green dashed lines and π–π contacts are highlighted as yellow dashed lines. ESPs map of (c) the DTBA dimer and (d) 2CBA, with the isosurface value scaled from −0.019 to +0.019 atomic units. |