BREU, J and CATLOW, CRA (1995) CHIRAL RECOGNITION AMONG TRIS(DIIMINE)-METAL COMPLEXES .4. ATOMISTIC COMPUTER MODELING OF A MONOLAYER OF [RU(BPY)(3)](2+) INTERCALATED INTO A SMECTITE CLAY. INORGANIC CHEMISTRY, 34 (17). pp. 4504-4510. ISSN 0020-1669,
Full text not available from this repository.Abstract
Lattice energy minimization techniques have been used to study the 2D-molecular organization of a monolayer of [Ru(bpy)(3)](2+) confined between two clay layers with respect to the stereochemistry of the guest complexes. The simulation results show the importance of both host-guest and guest-guest interactions in determining the structure of the interlamellar space, In the two structures with the lowest energy there is a perfect fit between guest shape acid corrugation of the clay surfaces, while the lateral interactions between complex cations are favorable, The lattice energy minimum is observed with different 2D-arrangements of complex cations for an enantiomeric and a racemic monolayer. On the basis of this result the reported effect of chirality on the adsorption capacity can be rationalized.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | MONTE-CARLO SIMULATIONS; MOLECULAR-STRUCTURE; CRYSTAL-PACKING; COLLOIDAL CLAY; D3 SYMMETRY; ADSORPTION; TRIS(2,2'-BIPYRIDYL)RUTHENIUM(II); DISCRIMINATIONS; SALTS; IONS; |
| Depositing User: | Dr. Gernot Deinzer |
| Last Modified: | 19 Oct 2022 08:37 |
| URI: | https://pred.uni-regensburg.de/id/eprint/52380 |
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