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Microwave Spectroscopic Investigations of Hydrogen-Bonded Dimers and the Directional Character of Hydrogen Bonds

Douglas James Millen ; Christopher Ingold Laboratories, Department of Chemistry, University College, 20 Gordon Street, London WClH OAJ

Puni tekst: engleski pdf 12.022 Kb

str. 133-145

preuzimanja: 127



Microwave spectroscopic investigations can provide a wide
variety of information about hydrogen-bonded dimers. Two particular
types of information, namely geometry and bending force
constants, are used here to explore the directional character of
hydrogen bonds. It is found where such information is available
that bending at the acceptor atom is relatively easy to bring about
while resistance to bending at the hydrogen atom is appreciably
Comparisons of geometries are made for a series of hydrogen
bonded structures in the solid state and also for the gas-phase.
For moderately strong hydrogen bonds it appears that the conventionally
viewed lone-pair directions correlate closely with observed
geometries of gas-phase dimers, but the energetic preference for
such a geometry is sufficiently small that other factors frequently
over-ride it for hydrogen-bonded structures found in the solid
state. This behaviour can be understood in terms of the total
electron density distribution at the acceptor atom.

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