Characterization of intra-framework and guest/host interactions in the AlPO4-15 molecular sieve by charge-density analysis.

@article{Aubert2003CharacterizationOI,
  title={Characterization of intra-framework and guest/host interactions in the AlPO4-15 molecular sieve by charge-density analysis.},
  author={Emmanuel Aubert and Florence Porcher and Mohamed Souhassou and Claude Lecomte},
  journal={Acta crystallographica. Section B, Structural science},
  year={2003},
  volume={59 Pt 6},
  pages={687-700}
}
The electron-density distribution of AlPO4-15 has been determined using high-resolution single-crystal X-ray diffraction, and the topological properties of the charge density have been calculated using the 'atoms in molecules' (AIM) theory. Analysis of the topological properties at the bond critical points has been used to characterize the interactions within the framework, and between the framework and the extra-framework species (ammonium ions and water molecules), and to define atomic… CONTINUE READING

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