When it comes to halogen bonds, electrostatics aren’t the σ-hole story

A complementary occupied-virtual pair for the halogen bond in CF3I⋯Cl−

Source: © The Royal Society of Chemistry

Researchers say charge-transfer should officially join σ-holes in halogen bond explanation

Scientists in the US and Germany have added to an ongoing debate over the nature of halogen bonds. Their data provides new evidence that scientists should not ignore charge-transfer when explaining the bond’s behaviour.