Figure 4
Contour line diagram of the Laplacian of electron density distribution ∇2r(r), bond paths, and selected zero-flux surfaces (left panel), visualization of electron localization function (ELF, center panel) and reduced density gradient (RDG, right panel) analyses for bifurcated chalcogen-hydrogen bonding Se⋯Cl−⋯H–C in sample (for Se⋯Cl− 2.900 Å and C–H⋯Cl− 2.609 Å). Bond critical points (3, −1) are shown in blue, nuclear critical points (3, −3) in pale brown, ring critical points (3, +1) in orange, bond paths are shown as pale-brown lines, length units are Å and the colour scale for the ELF and RDG maps is presented in a.u. |