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
2000
Article (author)
File in questo prodotto:
Non ci sono file associati a questo prodotto.
Pubblicazioni consigliate

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/188312
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 73
  • ???jsp.display-item.citation.isi??? 72
social impact