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Enthalpies of hydrogen bonds and proton affinities

1986; Elsevier BV; Volume: 135; Linguagem: Inglês

10.1016/0166-1280(86)80049-5

1872-7999

Th. Zeegers‐Huyskens,

Nonlinear Optical Materials Research

The heats of formation (ΔHHB0 of hydrogen bonds involving neutral molecules of the OH ⋯ N and OH ⋯ O type are inversely correlated to ΔPA, the difference between the proton affinity of the O− anion and the proton affinity of the base. The difference between O(sp2) and O(sp3) bases is ascribed to protonation-rehybridization effects. The data are compared with those obtained for ionic hydrogen bonds. It is shown that in a wide range of ΔHHB0 values (0-30 kcal mol−1) and ΔPA values (0-180 kcal mol−), the ΔHHB0 vs ΔPA correlation is not linear but there is no discontinuity between the weak and strong hydrogen bonds.