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. 2015 Jul 30;2(Pt 5):498–510. doi: 10.1107/S2052252515010854

Table 4. Molecular electrostatic potential values for the HB/XB donors.

Donor ligand Hydrogen atom (kJmol1) Halogen atom (kJmol1)
IF4-COOH 301.5 167.1
BrF4-COOH 288.3 139.1
I-COOH 266.9 112.8
Br-COOH 273.7 87.3
IF4-OX 273.8 158.9
BrF4-OX 279.0 127.8
I-OX 256.1 100.6
Br-OX 258.7 77.2
IF4-OH 304.8 149.6
BrF4-OH 315.3 125.8