Local attractions characterize the interanionic O - H···O hydrogen bonds in crystalline potassium hydrogenoxalate. This is the conclusion of theoretical and experimental studies on the electron density distribution. This contradicts a recent claim that such interactions are electrostatically repulsive. The picture shows the Laplacian function of the electron density in the region of the hydrogen bond.

Interanionic O-H...O interactions : the charge density point of view / P. Macchi, B. B. Iversen, A. Sironi, B. C. Chakoumakos, F. K. Larsen. - In: ANGEWANDTE CHEMIE. INTERNATIONAL EDITION. - ISSN 1433-7851. - 39:15(2000), pp. 2719-2722. [10.1002/1521-3773(20000804)39:15<2719::AID-ANIE2719>3.0.CO;2-8]

Interanionic O-H...O interactions : the charge density point of view

P. Macchi;A. Sironi;
2000

Abstract

Local attractions characterize the interanionic O - H···O hydrogen bonds in crystalline potassium hydrogenoxalate. This is the conclusion of theoretical and experimental studies on the electron density distribution. This contradicts a recent claim that such interactions are electrostatically repulsive. The picture shows the Laplacian function of the electron density in the region of the hydrogen bond.
Ab initio calculations; Hydrogen bonds; Neutron diffraction; Supramolecular chemistry
Settore CHIM/03 - Chimica Generale e Inorganica
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/188312
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