Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 30(24), p. 17951-17955, 2022
DOI: 10.1039/d2cp02845j
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Nature of hydrogen-bond-enhanced halogen bonding viewed through electron density changes
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Abstract
Electron density analysis shows that hydrogen bonds and halogen bonds contribute almost independently and additively to the enhancement of electrostatic potential in hydrogen-bond-enhanced halogen bonding.