Phosphorus pentafluoride

• Formula: F₅P
• Molecular weight: 125.965778
• IUPAC Standard InChI: InChI=1S/F5P/c1-6(2,3,4)5 Copy

  
• IUPAC Standard InChIKey: OBCUTHMOOONNBS-UHFFFAOYSA-N Copy
• CAS Registry Number: 7647-19-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Phosphorus(V) fluoride; PF5; Phosphorane, pentafluoro-; UN 2198; Phosphorus fluoride
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
• Data at other public NIST sites:
  • Computational Chemistry Comparison and Benchmark Database
  • Gas Phase Kinetics Database
• Options:
  • Switch to SI units

Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

 +  = ( • )

By formula: F^- + F₅P = (F^- • F₅P)

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
B - John E. Bartmess

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

 +  = ( • )

By formula: F^- + F₅P = (F^- • F₅P)

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Linke and Rohrmann, 1937
Linke, R.; Rohrmann, W., Z. Phys. Chem. Abt. B, 1937, 35, 256. [all data]

Aleshina, Borshchevskii, et al., 1996
Aleshina, V.E.; Borshchevskii, Ya.; Korobov, V.M.; Sidorov, L.N., The Enthalpy of Addition of the Fluorine Anion to the BF3 and PF5 Molecules, Russ. J. Phys. Chem., 1996, 70, 1085. [all data]

Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria, J. Am. Chem. Soc., 1985, 107, 766. [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study, J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034 . [all data]

Mallouk, Rosenthal, et al., 1984
Mallouk, T.E.; Rosenthal, G.L.; Muller, G.; Brusasco, R.; Bartlett, N., Fluoride ion affinities of GeF₄ and BF₄ from thermodynamic and structural data for (SF₂)₂GeF₆, ClO₂GeF₅, and ClO₂BF₄, Inorg. Chem., 1984, 23, 3167. [all data]

Miller, Miller, et al., 1994
Miller, T.M.; Miller, A.E.S.; Viggiano, A.A.; Morris, R.A.; Paulson, J.F., Negative ion reactions with PF5 and the electron affinity of PF5, J. Chem. Phys., 1994, 100, 10, 7200, https://doi.org/10.1063/1.466918 . [all data]

Goodman, Dewar, et al., 1973
Goodman, D.W.; Dewar, M.J.R.; Schweiger, J.R.; Cowley, A.H., The photoelectron spectrum of phosphorus pentafluoride, Chem. Phys. Lett., 1973, 21, 474. [all data]

Cox, Evans, et al., 1972
Cox, P.A.; Evans, S.; Orchard, A.F.; Richardson, N.V.; Roberts, P.J., Simple quantitative molecular orbital methods used in connection with photoelectron spectroscopy, Faraday Discuss. Chem. Soc., 1972, 54, 26. [all data]

Neskovic, Miletic, et al., 1983
Neskovic, O.; Miletic, M.; Veljkovic, M.; Golobocantin, D.; Zmbov, K.F., Ionization and fragmentation of phosphorous oxyfluoride by electron impact, Int. J. Mass Spectrom. Ion Processes, 1983, 47, 141. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  Tboil	Boiling point
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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