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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of molecular modeling 4 (1998), S. 176-182 
    ISSN: 0948-5023
    Keywords: Intercalation ; Montmorillonite ; Tetramethylammonium ; Trimethylphenylammonium
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The intercalation of organoammonium cations into smectite structure is the important step in the technology of non-linear optical materials. In this study we investigated the structure of montmorillonite (MMT), intercalated with two organoammonium cations : tetramethylammonium (TMA) and trimethylphenylammonium (TMPA) using molecular mechanics simulations. The studies were focused to following aspects: arrangement of organoammonium cations in the interlayer, their positions and orientation with respect to silicate layers and their anchoring to the layers. The calculated (basal) d-spacings for MMT with TMA 14.29 Å and 15.36 Å for MMT with TMPA are in good agreement with X-ray diffraction data.
    Type of Medium: Electronic Resource
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