Continuous chirality analysis of hexacoordinated tris-chelated metal complexes

Santiago Alvarez; Mark Pinsky; Miquel Llunell; David Avnir

doi:10.1016/S1463-0184(01)00013-2

Continuous chirality analysis of hexacoordinated tris-chelated metal complexes

Santiago Alvarez^*, Mark Pinsky, Miquel Llunell, David Avnir

^*Corresponding author for this work

Fredy & Nadine Herrmann Institute of Earth Sciences

Research output: Contribution to journal › Article › peer-review

30 Scopus citations

Abstract

We use the notion that symmetry can be evaluated on a continuous scale for the quantitative chirality analysis of tris-chelated metal complexes. After reviewing the Continuous Symmetry Measures methodology and its resulting Continuous Chirality Measure, we analyze the chirality of these complexes in terms of the specific contributions from the innermost ML₆ shell and from the ligand shells. The chirality behavior of seven families of tris(chelate) complexes was analysed. The results of the analysis point to a universal behavior and were found to be consistent with those for a molecular model. The maximum expected chirality for the octahedral to trigonal-prismatic route is at a twist angle of 23° and, remarkably, we found a complex that occupies this point, and have thus identified the most chiral hexacoordinated complex: (AsPh₄)₂[W(S₂C₆ H₄)₃].

Original language	English
Pages (from-to)	179-200
Number of pages	22
Journal	Crystal Engineering
Volume	4
Issue number	2-3
DOIs	https://doi.org/10.1016/S1463-0184(01)00013-2
State	Published - 9 Jun 2001

Bibliographical note

Funding Information:
This work has been supported by the Dirección General de Enseñanza Superior (DGES), project PB98-1166-C02-01. Additional support from Comissió Interdepartamental de Ciència i Tecnologia (CIRIT) through grant SGR99-0046 is also acknowledged. S. A. thanks the Dozor Foundation (Israel) for a Visiting Professorship that acted as a catalyst for the collaboration reported in this paper and M. Verdaguer for discussions. D. A. acknowledges support of the US-Israel Binational Science Foundation, and continuing useful discussions with Prof. K. Lipkowitz.

Keywords

Chirality
Coordination compounds
Molecular symmetry
Quantitative chirality
Stereochemistry

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10.1016/S1463-0184(01)00013-2

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abstract = "We use the notion that symmetry can be evaluated on a continuous scale for the quantitative chirality analysis of tris-chelated metal complexes. After reviewing the Continuous Symmetry Measures methodology and its resulting Continuous Chirality Measure, we analyze the chirality of these complexes in terms of the specific contributions from the innermost ML6 shell and from the ligand shells. The chirality behavior of seven families of tris(chelate) complexes was analysed. The results of the analysis point to a universal behavior and were found to be consistent with those for a molecular model. The maximum expected chirality for the octahedral to trigonal-prismatic route is at a twist angle of 23° and, remarkably, we found a complex that occupies this point, and have thus identified the most chiral hexacoordinated complex: (AsPh4)2[W(S2C6 H4)3].",

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author = "Santiago Alvarez and Mark Pinsky and Miquel Llunell and David Avnir",

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AU - Llunell, Miquel

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N2 - We use the notion that symmetry can be evaluated on a continuous scale for the quantitative chirality analysis of tris-chelated metal complexes. After reviewing the Continuous Symmetry Measures methodology and its resulting Continuous Chirality Measure, we analyze the chirality of these complexes in terms of the specific contributions from the innermost ML6 shell and from the ligand shells. The chirality behavior of seven families of tris(chelate) complexes was analysed. The results of the analysis point to a universal behavior and were found to be consistent with those for a molecular model. The maximum expected chirality for the octahedral to trigonal-prismatic route is at a twist angle of 23° and, remarkably, we found a complex that occupies this point, and have thus identified the most chiral hexacoordinated complex: (AsPh4)2[W(S2C6 H4)3].

AB - We use the notion that symmetry can be evaluated on a continuous scale for the quantitative chirality analysis of tris-chelated metal complexes. After reviewing the Continuous Symmetry Measures methodology and its resulting Continuous Chirality Measure, we analyze the chirality of these complexes in terms of the specific contributions from the innermost ML6 shell and from the ligand shells. The chirality behavior of seven families of tris(chelate) complexes was analysed. The results of the analysis point to a universal behavior and were found to be consistent with those for a molecular model. The maximum expected chirality for the octahedral to trigonal-prismatic route is at a twist angle of 23° and, remarkably, we found a complex that occupies this point, and have thus identified the most chiral hexacoordinated complex: (AsPh4)2[W(S2C6 H4)3].

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Continuous chirality analysis of hexacoordinated tris-chelated metal complexes

Abstract

Bibliographical note

Keywords

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