Croatica Chemica Acta, Vol. 55 No. 1-2, 1982.
Original scientific paper
The Electrostatic Model m the Theory of H-Bonds
Rudolf Janoschek
; Institut fur Theoretische Chemie, Karl-Franzens-Universitat Graz, 8010 Graz, Austria
Abstract
The perturbational treatment of H-bonded systems reduces
the discussion of H-bond properties to that of proton donor
and proton acceptor properties. Among the variety of interaction
contributions within perturbation theory it is simply the electrostatic
interaction which mainly seems to control H-bond strength
and stereochemistry of H-bonds. The easy accessible classical and
clear electrostatic potential of the proton acceptor is found to be
a useful indicator for H-bond properties.
Keywords
Hrčak ID:
194278
URI
Publication date:
1.7.1982.
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