Issue 19, 2009

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

Abstract

Single crystal X-ray diffraction of oxalic acid dihydrate H2C2O4·2H2O (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.

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

Supplementary files

Article information

Article type
Communication
Submitted
05 Jan 2009
Accepted
02 Mar 2009
First published
25 Mar 2009

Chem. Commun., 2009, 2679-2681

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

N. Casati, P. Macchi and A. Sironi, Chem. Commun., 2009, 2679 DOI: 10.1039/B823458B

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