A chiral metal chelate as a molecular probe to study the intermolecular interactions on a clay surface; theoretical and experimental approach

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Authors:Sato, Hisako; Taniguchi, Masahiro; Yamagishi, Akihiko
Author Affiliations:Primary:
University of Tokyo, Department of Chemistry, Tokyo, Japan
Other:
Hokkaido University, Japan
Volume Title:Nendo Kagaku Journal of the Clay Science Society of Japan
Source:Nendo Kagaku = Journal of the Clay Science Society of Japan, 35(3), p.120-128. Publisher: Nippon Nendo Gakkai = The Clay Science Society of Japan, Tokyo, Japan. ISSN: 0470-6455
Publication Date:1995
Note:In Japanese with English summary. 9 refs.
Summary:The adsorption of tris (1,10-phenanthroline)-metal(II) chelate by saponite clay has been simulated by the Monte Carlo method. A 2D sheet of linked [SiO4]4- and [AlO4]5- tetrahedra was used for the silicate sheet model. The effective charges of silicate clusters and metal chelates were calculated by the ab initio MO method. The thermal distributions of the configurations were obtained using Metropolis algorithm. For adsorption within the c.e.c., the interlayer distance at thermal equilibrium was found to be 10.5 Å for both racemic and enantiomeric chelates; for adsorption over the c.e.c., the interlayer distance in the presence of SO 2- 4 was 19.5 and 20.8 Å, respectively. These predictions were compared with experimental observations of adsorption of [Ru(phen)3]SO4 by colloidally dispersed synthetic saponite. The present simulations correctly described the intercalation behaviours of [Ru(phen)3]SO4 by saponite clays with very high concentrations of free chelates. The Monte Carlo simulations were also used to predict the adsorption structures of 1,1'-binaphthol on a hectorite column exchange by λ -[Ru(bpy)3]2+ or λ -[Ru(phen)3]2+, which are the simulations of liquid column chromatography for optical resolution. [R.E.S.]
Subjects:Absorption; Chelation; Chemical properties; Clay mineralogy; Clay minerals; Experimental studies; Geochemistry; Hectorite; Molecular structure; Saponite; Sheet silicates; Silicates; Theoretical studies
Abstract Numbers:97M/125
Record ID:1997031844
Copyright Information:GeoRef, Copyright 2019 American Geosciences Institute. Reference includes data from Mineralogical Abstracts, United Kingdom, Twickenham, United Kingdom
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