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MoleculesSolids
  • 3D structure: Jmol
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Related Molecules

  • ClO2(r)
    Chlorine Dioxide
  • ClO2(+)
    Chlorine Dioxide cation
  • NO2(-)
    Nitrite Ion
  • PCl5
    Phosphorus Pentachloride
  • SO2
    Sulfur Dioxide
  • I3(-)
    Triiodide Ion
  • O2(2-)
    Peroxide Ion
  • O2(1-)
    Superoxide Ion
Phosphorus Pentachloride PCl5
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Display







Molecular Electrostatic Potential (MEP)

Molecular Vibrations

IR spectrum

Click on an IR absorption to see the vibration in the molecular structure.

Symmetry Elements for Point Group D3h

Molecular Orbitals

Smiles: P(Cl)(Cl)(Cl)(Cl)Cl
Mol. Weight: 208.239
IUPAC name: pentachlorophosphorane
Charge: 0
InChi: InChI=1S/Cl5P/c1-6(2,3,4)5
Link to:Pubchem CID:24819

Additional Information

The molecular structure has been optimized at the B3LYP/6-31g* level of theory. Charges used for electrostatic maps are computed using the NBO method. The molecular vibrations are the eigenvectors of the Hessian of the potential.

The symmetry group was detected using Serguei Patchkovskii's code (http://www.cobalt.chem.ucalgary.ca/ps/symmetry/)

Most of the Jmol drawing capabilities (Symmetry, Electrostatic Maps, Vibrations and others) are developed by Bob Hanson and the Jmol community of developers.