Cover Image, Volume 35, Issue 6


Abstract

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A polarizable dipole–dipole interaction model is established to estimate the hydrogen bond distances and interaction energies for hydrogen-bonded complexes containing N[BOND]H···O=C and C[BOND]H···O=C hydrogen bonds. The chemical bonds N[BOND]H, C=O, and C[BOND]H are regarded as bond dipoles. The dipole–dipole interaction may be attractive or repulsive depending on the relative orientation of the two bond dipoles. The calculations by Shu-Shi Li et al. on page 415 show that this model can accurately and efficiently yield hydrogen bond distances and interaction energies for N[BOND]H···O=C and C[BOND]H···O=C hydrogen-bonded complexes.

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