Continuous chirality measures of tetracoordinate bis(chelate) metal complexes

被引:18
作者
Alvarez, S
Avnir, D
机构
[1] Univ Barcelona, Dept Quim Inorgan, E-08028 Barcelona, Spain
[2] Univ Barcelona, Ctr Recerca Quim Teor, E-08028 Barcelona, Spain
[3] Hebrew Univ Jerusalem, Inst Chem, IL-91904 Jerusalem, Israel
[4] Hebrew Univ Jerusalem, Lise Meitner Minerva Ctr Computat Quantum Chem, IL-91904 Jerusalem, Israel
关键词
D O I
10.1039/b208837a
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The interconversion pathway between the tetrahedron and the square that is represented by the structures of a large variety of tetracoordinate complexes is the achiral spread pathway in the presence of monodentate ligands but the chiral twist pathway in bis-chelated complexes. The chirality of several families of bis- chelated metal complexes is evaluated using the Continuous Chirality Measures methodology. The specific contribution to chirality from the innermost MX4 shell, as well as from the ligands is analyzed. The maximal expected chirality value for the tetrahedral to square planar route is at a torsion angle of 45degrees, which is realized in [Cu(p-C6H4{p-C(2)H(5)bipyMe}(2))](2+). The chiral behavior of double-stranded helicates is compared to that of analogous mononuclear complexes. The present study shows that chirality is a rather common property of bis- chelated complexes, even in the absence of asymmetric ligands.
引用
收藏
页码:562 / 569
页数:8
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