1999 | OriginalPaper | Chapter
Atomistic Computer Modelling of Chiral Pillared Clays
Authors : J. Breu, N. Raj, C. Richard, A. Catlow
Published in: Natural Microporous Materials in Environmental Technology
Publisher: Springer Netherlands
Included in: Professional Book Archive
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Lattice energy minimisation techniques have been used to study the 2D molecular organisation of [Ru(bpy)3]2+ and [Ru(phen)3]2+ confined in the interlamellar space of low charged smectites with respect to the stereochemistry of the pillars and the charge distribution within the host. With racemic pillars, favourable π-stackings lead to clustering of pillars even with homogeneously charged smectites. Long range and/or short range ordering of the isomorphous substitution within the silicate layer strongly influences the interlayer structure, since host-guest interactions are dominated by electrostatics.