Figure 6
Different views of the Hirshfeld surfaces for the constituents of (I) mapped over the electrostatic potential (the red and blue regions represent negative and positive electrostatic potentials, respectively) for the (a) water-O1W molecule [in the range −0.1001 to +0.1943 atomic units (a.u.)], (b) water-O2W molecule (−0.1013 to +0.1751 a.u.) and (c) complex molecule (−0.1209 to +0.2076 a.u.). The hydrogen bonds involving water molecules in (c) are indicated by green dashed lines. |