A model for the hydrogen bond.

نویسنده

  • L C Allen
چکیده

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: mu(A-H), the bond dipole moment; DeltaI, 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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عنوان ژورنال:
  • Proceedings of the National Academy of Sciences of the United States of America

دوره 72 12  شماره 

صفحات  -

تاریخ انتشار 1975