A continuous chirality analysis of homoleptic hexacoordinated complexes

European Journal of Inorganic Chemistry

Volumn , Issue 6, 2001, Pages 1499-1503

  Alvarez, Santiago ^a   Pinsky, Mark ^b   Avnir, David ^b  

^a UNIVERSITY OF BARCELONA   (Spain)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

Chirality; Coordination chemistry; Molecular symmetry; Quantitative chirality; Stereochemistry

Indexed keywords

LIGANDS; STEREOCHEMISTRY;

BIDENTATE LIGANDS; CO-ORDINATION CHEMISTRIES; HOMOLEPTIC; MODEL CALCULATIONS; MODELING ANALYZES; MOLECULAR SYMMETRY; MONODENTATE LIGANDS; QUANTITATIVE CHIRALITY; QUANTITATIVE EVALUATION; ROTATION ANGLES;

CHIRALITY;

CHROMIUM DERIVATIVE; COORDINATION COMPOUND; MANGANESE DERIVATIVE; MOLYBDENUM COMPLEX; ORGANOMETALLIC COMPOUND; RHENIUM COMPLEX; TIN DERIVATIVE; ZIRCONIUM DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CHIRALITY; COMPLEX FORMATION; MODEL; QUANTITATIVE ASSAY; STEREOCHEMISTRY; STRUCTURE ANALYSIS; X RAY ANALYSIS;

EID: 0034965236     PISSN: 14341948     EISSN: None     Source Type: Journal    
DOI: 10.1002/1099-0682(200106)2001:6<1499::aid-ejic1499>3.3.co;2-n     Document Type: Article

References (39)

1. See, for example: Catalytic Asymmetric Synthesis (Ed.: I. Ojima), VCH, New York, 1993;
2. Comprehensive Asymmetric Catalysis (Eds.: E. N. Jacobsen, A. Pfaltz, H. Yamamoto), Springer, Berlin, Vols. 1-3, 1999;
3. F. Gelman, D. Avnir, H. Schumann, J. Blum, J. Mol. Catal, A: Chem. 1999, 146, 123-128.
4. A. von Zelewsky, Stereochemistry of Coordination Compounds, J. Wiley, New York 1996; p 50.
5. K. P. Meurer, F. Vögtle, Topics Current Chem. 1985, 127, 1-76.
6. J. C. Bailar, Jr., J. Inorg. Nucl. Chem. 1958, 8, 165-175.
7. A. Werner, Ber. Dtsch. Chem. Ges. 1911, 44, 1887-1890;
8. V. L. King, Ber. Dtsch. Chem. Ges. 1911, 44, 1890-1898.
9. S. F. A. Kettle, Physical Inorganic Chemistry. A Coordination Chemistry Approach, Spectrum, Oxford 1996; p 46.
10. G. Wilkinson, R. D. Gillard, J. A. McCleverty, Comprehensive Coordination Chemistry, Vol. 1, Pergamon, Oxford 1987, p. 193.
11. D. F. Shriver, P. W. Atkins, Inorganic Chemistry, Oxford University Press, 3rd ed., Oxford 1999; p 223-226.
12. J. E. Huheey, E. A. Keiter, R. L. Keiter, Inorganic Chemistry, Harper Collins, 4th ed., New York 1993; p 492-494.
13. Y. Saito, Inorganic Molecular Dissymmetry, Springer Verlag, Heidelberg 1979; chapters 1 and 4.
14. F. A. Cotton, G. Wilkinson, C. A. Murillo, M. Bochmann, Advanced Inorganic Chemistry, Wiley, 6th ed., New York 1999; p 1325.
15. N. N. Greenwood, A. Earnshaw, Chemistry of the Elements, 2nd. ed., Butterworth-Heinemann, 1997.
16. [10] p. 53). Other textbooks on Inorganic Chemistry that were consulted also propose as examples of chiral complexes only bis- and tris-chelates.
17. H. Zabrodsky, D. Avnir, J. Am. Chem. Soc. 1995, 117, 462-473;
18. Y. Pinto, Y. Salomon, D. Avnir, J. Math. Chem. 1998, 23, 13-29;
19. Y. Salomon, D. Avnir, J. Comput. Chem. 1999, 20, 772-780.
20. D. Gao, S. Schefzick, K.B. Lipkowitz, J. Am. Chem. Soc. 1999, 121, 9481-9482;
21. K. B. Lipkowitz, D. Gao, O. Katzenelson, J. Am. Chem. Soc. 1999, 121, 5559-5564;
22. S. Grimme, Chem. Phys. Lett. 1998, 297, 15-22;
23. S. Alikhanidi, V. Kuz'min, J. Mol. Model. 1999, 5, 116-124;
24. O. Katzenelson, D. Avnir, Chem. Eur J. 2000, 6, 1346-1354;
25. O. Katzenelson, H. Zabrodsky, D. Avnir, Chem. Eur. J, 1996, 2, 174-181;
26. S. Keinan, D. Avnir, J. Am. Chem. Soc. 1998, 120, 6152-6159.
27. In other cases, the nearest achiral object may have another improper symmetry element.
28. The rotation was accompanied by gradually changing the bond angles around the metal in order to fulfill the definition of ideality, namely equal edges within each of the polyhedra. The boundaries for the bond angles are 90° in the octahedron and 81.79° in the trigonal prism, hence the bond-distance-to-edge-length ratio (normalized bite) is 1.414 in the octahedron and 1.309 in the trigonal prism.
29. H. Zabrodsky, S. Peleg, D. Avnir, J. Am. Chem. Soc. 1993, 115, 8278-8289. Erratum: 1994, 116, 656.
30. 6, R indicates any group σ-bonded to a metal through a carbon atom). Of these, only the first two families were retained for our chirality analysis, since all structures in the remaining groups were found to be practically octahedral (i.e. θ ≈ 60°). Searches were restricted to crystal structures with no disorder and R < 10%. The symmetry measures for the set of metal and six donor atoms were calculated from the experimental structural data with the computer program symm, available free from the authors.
31. D. Avnir, M. Pinsky, S. Alvarez, manuscript in preparation.
32. J. P. Glusker, M. Lewis, M. Rossi, Crystal Structure Analysis for Chemists and Biologists, VCH, New York 1994; p. 135 and 600-604.
33. S. Kleinhenz, V. Pfennig, K. Seppelt, Chem. Eur. J. 1998, 4, 1687-1691.
34. J. C. Friese, A. Krol, C. Puke, K. Kirschbaum, D. M. Giolando, Inorg. Chem. 2000, 39, 1496-1500.
35. [25]
36. S. Alvarez, M. Pinsky, M. Llunell, D. Avnir. Cryst. Eng., in press.
37. F. H. Allen, O. Kennard, Chem. Des. Autom. News 1993, 8, 31-37.
38. F. Knoch, D. Sellmann, W. Kern, Z. Kristallogr. 1993, 205, 300-302.
39. H.-U. Blaser, Tetrahedron: Assymetry 1991, 2, 843-866.