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Phys Chem Chem Phys. 2014 Jun 28;16(24):12202-8. doi: 10.1039/c4cp00186a.

Confined H2O molecules as local probes of pressure-induced amorphisation in faujasite.

Physical chemistry chemical physics : PCCP

Jadna Catafesta, Frederico Alabarse, Claire Levelut, Aude Isambert, Philippe Hébert, Shinji Kohara, David Maurin, Jean-Louis Bantignies, Olivier Cambon, Gaëlle Creff, Pascale Roy, Jean-Blaise Brubach, Tahar Hammouda, Denis Andrault, Julien Haines

Affiliations

  1. Institut Charles Gerhardt Montpellier, UMR 5253 CNRS, Université Montpellier 2, 34095 Montpellier Cedex 5, France. [email protected].

PMID: 24816994 DOI: 10.1039/c4cp00186a

Abstract

Confined H2O molecules act as local probes for depressurization phenomena during the pressure induced amorphisation of faujasite NaX at which the OH stretching frequency first decreases and then increases almost to its room pressure value upon further compression. Pair distribution function (PDF) analysis provides evidence that amorphisation corresponds to a collapse of the structure around hydrated sodium cations with strong distortion of the secondary building units (double six-membered rings, sodalite cages). Both the use of guest molecules as local probes in far- and mid-infrared spectroscopy, where we correlate intermolecular water H bonding vibrations and internal mode behaviour under confinement, and PDF analysis could be of great use to study the mechanical behaviour of other hydrated materials.

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