Experimental determination of electrostatic properties of Na–X zeolite from high resolution X-ray diffraction - Université de Lorraine
Journal Articles Physical Chemistry Chemical Physics Year : 2014

Experimental determination of electrostatic properties of Na–X zeolite from high resolution X-ray diffraction

Abstract

High resolution single crystal X-ray diffraction is used to obtain the electron density and atomic charges in Na–X zeolite. The Coulomb potential and interaction energies are calculated for a given Na + distribution and are discussed in connection with cation site affinities and adsorption of water molecules in the zeolite.
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Dates and versions

hal-04396130 , version 1 (15-01-2024)

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F. Porcher, Mohamed Souhassou, C. Lecomte. Experimental determination of electrostatic properties of Na–X zeolite from high resolution X-ray diffraction. Physical Chemistry Chemical Physics, 2014, 16 (24), pp.12228-12236. ⟨10.1039/c3cp55397c⟩. ⟨hal-04396130⟩
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