Literature DB >> 19532919

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

Nicola Casati1, Piero Macchi, Angelo Sironi.   

Abstract

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.

Entities:  

Year:  2009        PMID： 19532919     DOI： 10.1039/b823458b

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  2 in total

1.  Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate.

Authors:  Giulia Novelli; Konstantin V Kamenev; Helen E Maynard-Casely; Simon Parsons; Garry J McIntyre
Journal:  IUCrJ       Date:  2021-11-20       Impact factor: 4.769

2.  DORI Reveals the Influence of Noncovalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure.

Authors:  Benjamin Meyer; Senja Barthel; Amber Mace; Laurent Vannay; Benoit Guillot; Berend Smit; Clémence Corminboeuf
Journal:  J Phys Chem Lett       Date:  2019-03-18       Impact factor: 6.475
  2 in total

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