Transition Metal Chemistry

, Volume 10, Issue 10, pp 393–395 | Cite as

The crystal and molecular structure of acetonitrilechlorodicyclopentadienyltitanium tetrachloroferrate(III). Some Mössbauer and X-ray photoelectron spectroscopic data

  • Ulf Thewalt
  • Klaus Berhalter
  • Eberhard W. Neuse
Full Papers
Received:

Summary

The title compound crystallizes in the orthorhombic space group P212121 with Z=4 and lattice parametersa=1744.2(4),b=1360.7(4),c=751.3(5) pm. An x-ray analysis shows the compound to consist of discrete (h5-C5H5)2-Ti(Cl)NCMe+ cations and FeCl 4 − anions. The cation has a distorted tetrahedral structure (Ti-C: 231.9-237.6 pm; Ti-Z: 203 and 204pm; Ti-Cl: 230.4 pm; Ti-N: 213.5 pm; Z-Ti-Z: 133.2°; Cl-Ti-N: 91.7° (Z: centre of cyclopentadienyl ring). The relatively short Ti-Cl bond length indicates a modest Ti-Cl π-bonding contribution. The tetrachloroferrate(III) anion possesses a nearly undistorted tetrahedral geometry (Fe-Cl: 216.0–218.5 pm; Cl-Fe-Cl: 109.0–111.1°). Mössbauer and x-ray photoelectron spectroscopic data confirm the crystallographically derived structural features.

Keywords

Physical Chemistry Inorganic Chemistry Molecular Structure Structural Feature Bond Length 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
This is a preview of subscription content, log in to check access.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. (1).
    M. G. Meirim and E. W. Neuse,Transition Met. Chem., 9, 337 (1984).Google Scholar
  2. (2).
    A. Clearfield, D. K. Warner, C. H. Saldarriaga-Molina, R. Ropal and I. Bernal,Can. J. Chem., 53, 1622 (1975).Google Scholar
  3. (3).
    J.C. Huffman, K. G. Moloy, J. A. Marsella and K. G. Coulton,J. Am. Chem. Soc., 102, 3009 (1980).Google Scholar
  4. (4).
    An excellent summary of earlier Mössbauer data on tetrachloroferrates(III) is found in: N. N. Greenwood and T. C. Gibb,Mössbauer Spectroscopy, Chapman & Hall, Ltd., London 1971, Ch. 6.Google Scholar
  5. (5).
    P. R. Edwards and C. E. Johnson,J. Chem. Phys., 49, 211 (1968).Google Scholar
  6. (6).
    P. Gütlich, R. Link and A. Trautwein,Mössbauer Spectroscopy and Transition Metal Chemistry, Springer Verlag, Berlin, 1978, Ch. 6.Google Scholar
  7. (7).
    C. A. Clausen and M. L. Good,Inorg. Chem., 9, 220 (1970).Google Scholar
  8. (8).
    E. W. Neuse, B. S. Mojapelo and J. Ensling,Transition Met. Chem., in press.Google Scholar
  9. (9).
    E. W. Neuse and R. Holm, unpublished results.Google Scholar
  10. (10).
    E. W. Neuse and M. G. Meirim,Transition Met. Chem., 9, 205 (1984).Google Scholar
  11. (11).
    F. A. Cotton and C. A. Murillo,Inorg. Chem., 14, 2467 (1975).Google Scholar
  12. (12).
    T. J. Kistenmacher and G. D. Stucky,Inorg. Chem., 7, 2150 (1968).Google Scholar
  13. (13).
    R. R. Richards and N. W. Gregory,J. Phys. Chem., 69, 239 (1965).Google Scholar
  14. (14).
    The Ti(2p3/2) binding energy of titanocene dichloride was previously reported to be 456.9 eV: P. G. Gassman, W. H. Campbell and D. W. Macomber,Organometallics, 3, 385 (1984).Google Scholar
  15. (15).
    XMYprogram, written by T. Debaerdemaeker, University of Ulm.Google Scholar
  16. (16).
    D.T. Cromer and J. B. Mann,Acta Crystallogr., A24, 321 (1968).Google Scholar
  17. (17).
    D. T. Cromer and D. Liberman,J. Chem. Phys., 53, 1891 (1970).Google Scholar

Copyright information

© VCH Verlagsgesellschaft mbH 1985

Authors and Affiliations

  • Ulf Thewalt
    • 1
  • Klaus Berhalter
    • 1
  • Eberhard W. Neuse
    • 2
  1. 1.Sektion für Röntgen-und ElektronenbeugungUniversität UlmUlmGermany
  2. 2.Department of ChemistryUniversity of the WitwatersrandJohannesburgRepublic of South Africa

Personalised recommendations