Breu, Josef and Raj, Nilesh and Catlow, C. Richard A. (1999) Chiral recognition among trisdiimine-metal complexes, Part 4. Atomistic computer modeling of [Ru(bpy)(3)](2+) and [Ru(phen)(3)](2+) intercalated into low charged smectites. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS (6). pp. 835-845. ISSN 1472-7773,
Full text not available from this repository. (Request a copy)Abstract
Lattice energy minimization techniques have been used to study the 2D molecular organization 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. The simulation results underline the complexity of the interplay of long range and short range host-guest and guest-guest interactions in controlling the structure of the interlamellar space. With racemic pillars, favourable pi 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. The heterogeneity of natural clays rationalises apparently contradicting experimental results on the chiral discrimination by achiral clays.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | MONTE-CARLO SIMULATIONS; CATION-EXCHANGED PHYLLOSILICATES; HELICAL RUTHENIUM(II) COMPLEXES; X-RAY-DIFFRACTION; CLAY-MINERALS; CRYSTAL-STRUCTURES; PILLARED CLAYS; AROMATIC INTERACTIONS; POLYATOMIC-MOLECULES; OPTICAL RESOLUTION; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 08 Nov 2022 15:24 |
| Last Modified: | 08 Nov 2022 15:24 |
| URI: | https://pred.uni-regensburg.de/id/eprint/48428 |
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