Summary.
The topological parameters derived from the Bader theory such as the electron density and its Laplacian at the ring critical point (RCP) are analysed here as possible measures of the H-bond stength for intramolecular H-bonds. The parameters of RCP correlate well with the other properties of intramolecular H-bonds which are known as good measures of the H-bond strength. The calculations were performed on two samples of compounds with intramolecular H-bonds: the derivatives of malonaldehyde and the derivatives of o-hydroxybenzaldehyde. MP2 and HF calculations were carried out using a 6-311++G** basis set.
Similar content being viewed by others
Author information
Authors and Affiliations
Additional information
E-mail: slagra@krysia.uni.lodz.pl
Received February 18, 2002; accepted (revised) May 27, 2002
Rights and permissions
About this article
Cite this article
Grabowski, S. Properties of a Ring Critical Pointas Measures of Intramolecular H-Bond Strength. Monatshefte für Chemie 133, 1373–1380 (2002). https://doi.org/10.1007/s00706-002-0498-3
Issue Date:
DOI: https://doi.org/10.1007/s00706-002-0498-3