Phosphorus pentafluoride


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
Tboil188.3KN/APCR Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
4.11184.QMLinke and Rohrmann, 1937Based 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

Fluorine anion + Phosphorus pentafluoride = (Fluorine anion • Phosphorus pentafluoride)

By formula: F- + F5P = (F- • F5P)

Quantity Value Units Method Reference Comment
Δr78.6 ± 3.3kcal/molTDAsAleshina, Borshchevskii, et al., 1996gas 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
Δr85. ± 10.kcal/molIMRELarson and McMahon, 1985gas 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
Δr101.0 ± 8.0kcal/molTherMallouk, Rosenthal, et al., 1984gas phase; Fluoride affinities from this method appear to be consistently about 10 kcal/mol too bound; B
Quantity Value Units Method Reference Comment
Δr74. ± 10.kcal/molIMRELarson and McMahon, 1985gas 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 ± 0.15IMRBMiller, Miller, et al., 1994B

Ionization energy determinations

IE (eV) Method Reference Comment
15.54PEGoodman, Dewar, et al., 1973Vertical value; LLK
15.6PECox, Evans, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
F4P+14.98FEINeskovic, Miletic, et al., 1983LBLHLM

References

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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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