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Structure of tris(pentafluorophenyl)phosphine.

A Karipides1, C M Cosio

  • 1Department of Chemistry, Miami University, Oxford, Ohio 45056.

Acta Crystallographica. Section C, Crystal Structure Communications
|November 15, 1989
PubMed
Summary
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This study details the crystal structure of a novel phosphorus compound, C18F15P. The research reveals significant deviations from ideal symmetry due to twisted pentafluorophenyl groups, impacting molecular geometry.

Area of Science:

  • Inorganic Chemistry
  • Crystallography
  • Materials Science

Background:

  • Understanding the molecular structure and bonding of organophosphorus compounds is crucial for developing new materials.
  • Pentafluorophenyl groups are known to influence the electronic and steric properties of molecules.
  • Deviations from ideal symmetry can lead to unique physical and chemical properties.

Purpose of the Study:

  • To determine the precise crystal structure of C18F15P.
  • To analyze the molecular geometry, including bond lengths and angles.
  • To investigate the influence of pentafluorophenyl groups on the compound's symmetry and packing.

Main Methods:

  • Single-crystal X-ray diffraction was employed to elucidate the crystal structure.
  • Unit cell parameters, space group, and atomic coordinates were determined.

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  • Molecular geometry and intermolecular interactions were analyzed.

    • Main Results:

    • The crystal structure of C18F15P was determined in the monoclinic space group P2(1)/c.
    • The three pentafluorophenyl groups exhibit significant twisting around the C-P bonds, deviating from C3 symmetry.
    • Key bond lengths (P-C: 1.824-1.834 Å) and angles (C-P-C: 99.6-106.0°) were precisely measured.
    • Short C...F non-bonded distances (2.79 Å and 2.99 Å) were identified.

    Conclusions:

    • The crystal structure of C18F15P reveals a distorted molecular geometry driven by the steric bulk and electronic effects of the pentafluorophenyl substituents.
    • These structural features are comparable to those observed in triphenylphosphine, suggesting similar packing or electronic influences.
    • The identified short C...F contacts may play a role in stabilizing the crystal lattice.