A model for the hydrogen bond

AUTOR(ES)

Allen, Leland C.

RESUMO

A model of the linear hydrogen bond has been devised which is characterized by three physical parameters of the isolated electron donor and proton donor molecules: μA-H, the bond dipole moment; ΔI, the difference in ionization potential between that of the electron donor and the corresponding noble gas atom; and l, the length of the electron donor lone-pair of electrons. The model is able to explain dimerization energy, charge transfer, internuclear separation, directionality, stretching force constants, dimer dipole moment, and infrared intensity enhancement.

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