Hydrogen migration in oxalic acid di-hydrate at high pressure?
نویسندگان
چکیده
Single crystal X-ray diffraction of oxalic acid dihydrate H(2)C(2)O(4).2H(2)O (1), at pressures up to 5.3 GPa, shows significant changes in the molecular geometries, probably accompanied by a proton migration from H(2)C(2)O(4) to H(2)O and formation of ionic species, as predicted by periodic DFT calculations.
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عنوان ژورنال:
- Chemical communications
دوره 19 شماره
صفحات -
تاریخ انتشار 2009