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Tricarbonyl(eta6-chlorobenzene)chromium.

Alan K Brisdon1, Ian R Crossley, Robin G Pritchard

  • 1Chemistry Department, UMIST, PO Box 88, Manchester M60 1QD, England. alan.brisdon@umist.ac.uk

Acta Crystallographica. Section C, Crystal Structure Communications
|August 12, 2003
PubMed
Summary

The first structurally characterized chromium tricarbonyl eta(6)-monohaloarene complex exhibits a piano-stool geometry. Its crystal structure features significant intermolecular pi-H and hydrogen bonding interactions.

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Area of Science:

  • Organometallic Chemistry
  • Crystallography
  • Coordination Chemistry

Background:

  • Organometallic compounds containing chromium are crucial in catalysis and materials science.
  • Structural characterization of novel coordination complexes provides fundamental insights into bonding and reactivity.
  • Tricarbonyl chromium complexes with arene ligands are well-studied, but monohaloarene derivatives are less explored.

Purpose of the Study:

  • To synthesize and structurally characterize a novel group 6 tricarbonyl eta(6)-monohaloarene chromium complex.
  • To elucidate the solid-state structure and intermolecular interactions of the title compound.
  • To understand the conformational preferences of the tricarbonyl chromium moiety relative to the haloarene ligand.

Main Methods:

  • Single-crystal X-ray diffraction was employed for structural determination.

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  • Analysis of bond lengths, bond angles, and intermolecular distances was performed.
  • Conformational analysis of the piano-stool geometry was conducted.
  • Main Results:

    • The title compound, [Cr(C(6)H(5)Cl)(CO)(3)], was successfully synthesized and structurally characterized.
    • It adopts a piano-stool structure with a syn-eclipsed conformation (phi = 2.0 degrees).
    • The crystal packing is dominated by intermolecular pi-H interactions and non-classical hydrogen bonds.

    Conclusions:

    • This study reports the first structural characterization of a group 6 tricarbonyl eta(6)-monohaloarene complex.
    • The observed piano-stool geometry and eclipsed conformation provide valuable structural data.
    • Intermolecular interactions play a significant role in stabilizing the extended crystal structure.