Continuous chirality analysis of hexacoordinated tris-chelated metal complexes

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

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

30 Scopus citations


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 languageAmerican English
Pages (from-to)179-200
Number of pages22
JournalCrystal Engineering
Issue number2-3
StatePublished - 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.


  • Chirality
  • Coordination compounds
  • Molecular symmetry
  • Quantitative chirality
  • Stereochemistry


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