Premium
Interanionic O−H⋅⋅⋅O Interactions: The Charge Density Point of View
Author(s) -
Macchi Piero,
Iversen Bo B.,
Sironi Angelo,
Chakoumakos Bryan C.,
Larsen Finn K.
Publication year - 2000
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/1521-3773(20000804)39:15<2719::aid-anie2719>3.0.co;2-8
Subject(s) - charge density , electron density , hydrogen bond , electron , chemistry , chemical physics , computational chemistry , physics , crystallography , molecule , quantum mechanics , organic chemistry
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.