Data di Pubblicazione:
2009
Citazione:
Hydrogen migration in oxalic acid di-hydrate at high pressure? / N.P. Casati, P. Macchi, A.A.D. Sironi. - In: CHEMICAL COMMUNICATIONS. - ISSN 1359-7345. - 2009:19(2009), pp. 2679-2681.
Abstract:
Single crystal X-ray diffraction of oxalic acid dihydrate H2C2O42H2O (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.
Tipologia IRIS:
01 - Articolo su periodico
Elenco autori:
N.P. Casati, P. Macchi, A.A.D. Sironi
Link alla scheda completa: