TY - JOUR
T1 - Interanionic O - H···O interactions
T2 - The charge density point of view
AU - Macchi, Piero
AU - Iversen, Bo B.
AU - Sironi, Angelo
AU - Chakoumakos, Bryan C.
AU - Larsen, Finn K.
PY - 2000/8/4
Y1 - 2000/8/4
N2 - 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 - 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.
KW - Ab initio calculations
KW - Hydrogen bonds
KW - Neutron diffraction
KW - Supramolecular chemistry
UR - http://www.scopus.com/inward/record.url?scp=0034604724&partnerID=8YFLogxK
U2 - 10.1002/1521-3773(20000804)39:15<2719::AID-ANIE2719>3.0.CO;2-8
DO - 10.1002/1521-3773(20000804)39:15<2719::AID-ANIE2719>3.0.CO;2-8
M3 - Article
AN - SCOPUS:0034604724
SN - 1433-7851
VL - 39
SP - 2719
EP - 2722
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
IS - 15
ER -