In 2011, an IUPAC Task Group published a modern evidence-based definition of hydrogen bonding in the journal Pure and Applied Chemistry. This definition specifies that a hydrogen bond is not merely an electrostatic attraction but involves charge transfer and orbital interactions. The general notation for this interaction is Dn−H···Ac, where the solid line represents a polar covalent bond and three dots indicate the hydrogen bond itself. A donor atom like nitrogen, oxygen, or fluorine holds the protic hydrogen, while an acceptor atom provides a lone pair of electrons. Unlike simple dipole, dipole interactions, these bonds arise from quantum mechanical delocalization. They exist on a continuum ranging from weak van der Waals-like forces to nearly covalent bonding. In water, the distance between atoms typically measures around 197 picometers. The strength varies considerably depending on geometry and environment, spanning from 1 kilojoule per mole to as high as 161.5 kilojoules per mole in the bifluoride ion.
History And Discovery
Linus Pauling credits T. S. Moore and T. F. Winmill with the first mention of the hydrogen bond in 1912. These scientists used the concept to explain why trimethylammonium hydroxide acts as a weaker base than tetramethylammonium hydroxide. The description of hydrogen bonding in water arrived years later in 1920 through Latimer and Rodebush. Their paper cited Maurice Loyal Huggins, who had unpublished work describing a hydrogen kernel held between two atoms. This early theory remained controversial until NMR techniques demonstrated information transfer between hydrogen-bonded nuclei. Such transfer is only possible if the bond contains some covalent character. The initial interpretation by Linus Pauling suggested partial covalency, which eventually gained acceptance through experimental validation. Modern quantum chemical calculations now reveal large differences between individual bonds of the same type. For instance, the central interresidue hydrogen bond between guanine and cytosine proves much stronger than the bond between adenine and thymine pairs.