Additional stabilization of hetero-complexes of aromatic molecules: H-bonds or charge-transfer?

In this work the proof for intermolecular H-bond formation in hetero-complexes of aromatic molecules and rejection of alternative hypothesis about charge-transfer as a source of additional stabilization, reflected in experimentally-measured thermodynamical parameters of certain complexes, was provid...

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Bibliographic Details
Published in:Journal of molecular structure 2011-01, Vol.985 (2), p.403-406
Main Authors: Kostjukov, V.V., Mosunov, A.A., Ermolaev, M.A., Sykhonos, P.A., Evstigneev, M.P.
Format: Article
Language:English
Subjects:
aromatic compounds
Aromatic molecules
Charge-transfer
electron transfer
Empirical analysis
Hetero-association
Hydrogen bond
hydrogen bonding
probability
thermodynamics
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Summary:In this work the proof for intermolecular H-bond formation in hetero-complexes of aromatic molecules and rejection of alternative hypothesis about charge-transfer as a source of additional stabilization, reflected in experimentally-measured thermodynamical parameters of certain complexes, was provided. An empirical threshold for the relative hetero-association constant f C > 35% was suggested as an indicator of the existence of additional stabilization. It was also suggested that any new experimentally-measured hetero-association of aromatic molecules meeting this condition should be further subjected to structural analysis implying with high probability the existence of intermolecular H-bonding network.
ISSN:0022-2860
1872-8014
DOI:10.1016/j.molstruc.2010.11.031