Topology of electron distribution for free molecules of halogen and interhalogens.

Halogen/interhalogen X–Y	ρ(r), e bohr−3	∇2ρ(r), e bohr−5	G(r), hartree bohr−3	V(r), hartree bohr−3	Ω X, e
F–F	0.272	0.552	0.273	−0.409	0
Cl–Cl	0.128; 0.149 (ref. 81)	0.050	0.057	−0.101	0
Cl–F	0.191	−0.074	0.129	−0.278	0.378
Br–Br	0.095	0.016	0.036	−0.068	0
Br–Cl	0.108	0.031	0.046	−0.084	0.109
Br–F	0.139	0.298	0.1379	−0.201	0.461
I–I	0.064; 0.050;65 0.079 (ref. 66)	0.015; 0.082 (ref. 65)	0.0214	−0.039	0
I–Br	0.0760; 0.094 (ref. 66)	0.0340	0.0310	−0.054	0.176; 0.187 (ref. 66)
I–Cl	0.0826; 0.10 (ref. 66)	0.0710	0.042	−0.067	0.266; 0.323 (ref. 66)
I–F	0.106	0.340	0.1205	−0.156	0.567