. 2022 Mar 7;12(12):7516–7528. doi: 10.1039/d1ra07269b

Application of the intermolecular forces in the [AuClX] (X = –CNH, –CNCH₃, –CNCy, CO) dimers using the equilibrium distance (R_e) and electronic properties from table at the MP2 level. All values are in kJ mol⁻¹.

Properties	V _{dipole–dipole}	V _ind	V _disp
[AuCl(CNH)]₂	−108.4 (73%)	−18.7 (13%)	−21.3 (14%)
[AuCl(CNCH₃)]₂	−147.8 (69%)	−31.4 (15%)	−34.1 (16%)
[AuCl(CNCy)]₂	−181.2 (49%)	−61.2 (15%)	−129.0 (35%)
[AuCl(CO)]₂	−24.6 (50%)	−3.8 (8%)	−21.2 (43%)

Application of the intermolecular forces in the [AuClX] (X = –CNH, –CNCH3, –CNCy, CO) dimers using the equilibrium distance (Re) and electronic properties from table at the MP2 level. All values are in kJ mol−1.