File Name : figure_s1.png

Caption : atoms numeration to structures <b>1</b>–cl<sup>–</sup>, <b>2</b>–cl<sup>–</sup> and <b>4</b>–cl<sup>–</sup>. atoms color: carbon (gray); oxygen (red); hydrogen (white); chlorine (green); nitrogen (blue); fluorine (light blue).

File Name : figure_s2.png

Caption : electrostatic potential map for the compounds analyzed in this study. the isovalues and scales [isovalue (scale red – blue) a.u.] used to represent the surfaces are 0.030 (–0.100 – 0.100) a.u.

File Name : figure_s3.png

Caption : electrostatic potential map for the compounds analyzed in this study. the isovalues and scales [isovalue (scale red – blue) a.u.] used to represent the surfaces are 0.030 (–0.100 – 0.100) a.u.

File Name : figure_s4.png

Caption : selected density deformation channels surface plots, δ<i>ρ</i><sub>1</sub>. red and blue regions indicate the electronic density outflow and inflow, respectively. the isovalue used to represent these surfaces is 0.002 a.u. surfaces generated from geometry optimized with the b97d3/6–31+g(d), pcm – dmso, theory level.

File Name : figure_s5.png

Caption : selected density deformation channels surface plots, δ<i>ρ</i><sub>2</sub>. red and blue regions indicate the electronic density outflow and inflow, respectively. the isovalue used to represent these surfaces is 0.002 a.u. surfaces generated from geometry optimized with the b97d3/6–31+g(d), pcm – dmso, theory level.

File Name : figure_s6.png

Caption : selected density deformation channels surface plots, (<b>a</b>) δ<i>ρ</i><sub>1</sub> and (<b>b</b>) δ<i>ρ</i><sub>2</sub>. red and blue regions indicate the electronic density outflow and inflow, respectively. the isovalue used to represent these surfaces is 0.002 a.u. surfaces generated from geometry optimized with the b97d3/6–31+g(d), pcm – dmso, theory level.

File Name : figure_s7.png

Caption : topological map containing the bond paths (continuous or dashed lines connecting the cores) and bond critical points (small light green points) for the structures studied in this paper. atoms color: h = white; c = gray; o = light red; cl = light green; f = green; br = red.

File Name : figure_s8.png

Caption : topological map containing the bond paths (continuous or dashed lines connecting the cores) and bond critical points (small light green points) for the structures studied in this paper. atoms color: h = white; c = gray; o = light red; cl = light green; f = green; br = red.