Phosphorus pentafluoride
- Formula: F5P
- Molecular weight: 125.965778
- IUPAC Standard InChIKey: OBCUTHMOOONNBS-UHFFFAOYSA-N
- 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
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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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 188.3 | K | N/A | PCR Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.11 | 184. | QM | Linke and Rohrmann, 1937 | Based on data from 179. to 189. K.; AC |
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
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Individual Reactions
By formula: F- + F5P = (F- • F5P)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 78.6 ± 3.3 | kcal/mol | TDAs | Aleshina, Borshchevskii, et al., 1996 | gas phase; The discrepancy with Larson and McMahon, 1985 is discussed but not resolved.; value altered from reference due to conversion from electron convention to ion convention; B |
ΔrH° | 85. ± 10. | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
ΔrH° | 101.0 ± 8.0 | kcal/mol | Ther | Mallouk, Rosenthal, et al., 1984 | gas phase; Fluoride affinities from this method appear to be consistently about 10 kcal/mol too bound; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 74. ± 10. | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B |
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
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.75 ± 0.15 | IMRB | Miller, Miller, et al., 1994 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
15.54 | PE | Goodman, Dewar, et al., 1973 | Vertical value; LLK |
15.6 | PE | Cox, Evans, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
F4P+ | 14.98 | F | EI | Neskovic, Miletic, et al., 1983 | LBLHLM |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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 Tboil Boiling point 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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