Single crystal X-ray diffraction of oxalic acid dihydrate H 2C2O4·2H2O (1), at pressures up to 5.3 GPa, shows significant changes in the molecular geometries, probably accompanied by a proton migration from H2C2O4 to H2O and formation of ionic species, as predicted by periodic DFT calculations. © The Royal Society of Chemistry 2009.

Hydrogen migration in oxalic acid di-hydrate at high pressure?

MacChi, Piero;
2009-01-01

Abstract

Single crystal X-ray diffraction of oxalic acid dihydrate H 2C2O4·2H2O (1), at pressures up to 5.3 GPa, shows significant changes in the molecular geometries, probably accompanied by a proton migration from H2C2O4 to H2O and formation of ionic species, as predicted by periodic DFT calculations. © The Royal Society of Chemistry 2009.
2009
Catalysis; Electronic, Optical and Magnetic Materials; Ceramics and Composites; Chemistry (all); Surfaces, Coatings and Films; 2506; Materials Chemistry2506 Metals and Alloys
File in questo prodotto:
Non ci sono file associati a questo prodotto.

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/11311/1063402
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 44
  • ???jsp.display-item.citation.isi??? 44
social impact