CHIRAL RECOGNITION AMONG TRIS(DIIMINE)-METAL COMPLEXES .4. ATOMISTIC COMPUTER MODELING OF A MONOLAYER OF [RU(BPY)(3)](2+) INTERCALATED INTO A SMECTITE CLAY

被引：39

作者：

BREU, J ^{[1
]}

CATLOW, CRA ^{[1
]}

机构：

[1] UCL ROYAL INST GREAT BRITAIN, DAVY FARADAY RES LAB, LONDON W1X 4BS, ENGLAND

来源：

INORGANIC CHEMISTRY | 1995年 / 34卷 / 17期

关键词：

D O I：

10.1021/ic00121a032

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

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.

引用

页码：4504 / 4510

页数：7

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