Sulfur pentafluoride


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.

Quantity Value Units Method Reference Comment
Δfgas-217.12kcal/molReviewChase, 1998Data last reviewed in December, 1977
Quantity Value Units Method Reference Comment
gas,1 bar72.837cal/mol*KReviewChase, 1998Data last reviewed in December, 1977

Gas Phase Heat Capacity (Shomate Equation)

Cp° = 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
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 600.600. to 6000.
A 5.89983131.63760
B 88.29790-0.133594
C -119.01300.139556
D 58.86730-0.012475
E -0.158395-1.193360
F -222.4040-230.3270
G 57.53000105.0880
H -217.1240-217.1240
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1977 Data last reviewed in December, 1977

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 by: John E. Bartmess

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

(F6S- • 4294967295Sulfur pentafluoride) + Sulfur pentafluoride = F6S-

By formula: (F6S- • 4294967295F5S) + F5S = F6S-

Quantity Value Units Method Reference Comment
Δr40.4 ± 3.3kcal/molN/AGrimsrud, Chowdhury, et al., 1985gas phase; ΔGea(423 K) = -29.8 kcal/mol; ΔSea = +13 eu. See also Chowdhury, Heinis, et al., 1986, Bopp, Roscioli, et al., 2007
Δr42.7 ± 2.8kcal/molCIDTLobring, Check, et al., 2003gas phase; Affinity: SF5- + F. Barrier to dissociation, but less than barrier to photodissociation

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 evaluated as indicated in comments:
L - Sharon G. Lias

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

View reactions leading to F5S+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.60 ± 0.05eVN/AN/AL
Quantity Value Units Method Reference Comment
Δf(+) ion2.7 ± 4.4kcal/molN/AN/A 

Electron affinity determinations

EA (eV) Method Reference Comment
3.850 ± 0.020ECDChen and Chen, 2007B
3.850 ± 0.020ECDChen and Chen, 2007B
3.800 ± 0.027KineChen, Shuie, et al., 1988From Temperature dependence of SF5-/SF6- in API attachment to SF6; B
3.70 ± 0.20N/AChase Jr., Curnutt, et al., 1982Literature average; B
2.71 ± 0.20NBAECompton, Reinhardt, et al., 1978From SF6; B
>2.90 ± 0.10NBAEHubers and Los, 1975From SF6; B
>2.80 ± 0.20NBAECompton and Cooper, 1973From SF6; B
>2.80 ± 0.10EndoLifshitz, Tiernan, et al., 1973B
3.17 ± 0.15EIAECurran, 1961From SF6, new EA(F-); B
3.660 ± 0.043SIKay and Page, 1964The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.60 ± 0.05EVALBecker, Hrusak, et al., 1994LL
9.60 ± 0.05ENDFischer, Kickel, et al., 1992T = 0K; LL
9.60 ± 0.05BRSieck and Ausloos, 1990T = 298K; LL
9.6 ± 0.7DERLangford, Almeida, et al., 1990LL
≤9.83 ± 0.23BRStone and Wytenberg, 1989T = 298K; LL
9.65DERBaumgartel, Jochims, et al., 1989LL
10.5 ± 0.1DERBabcock and Streit, 1981LLK

References

Go To: Top, Gas phase thermochemistry 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.

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

Grimsrud, Chowdhury, et al., 1985
Grimsrud, E.P.; Chowdhury, S.; Kebarle, P., Electron affinity of SF6 and perfluoromethylcyclohexane. The unusual kinetics of electron transfer reactions A- + B- + A, where A = SF6 or perfluorinated cycloalkanes, J. Chem. Phys., 1985, 83, 1059. [all data]

Chowdhury, Heinis, et al., 1986
Chowdhury, S.; Heinis, T.; Grimsrud, E.P.; Kebarle, P., Entropy Changes and Electron Affinities from Gas-Phase Electron Transfer Equilibria: A- + B = A + B-, J. Phys. Chem., 1986, 90, 12, 2747, https://doi.org/10.1021/j100403a037 . [all data]

Bopp, Roscioli, et al., 2007
Bopp, J.C.; Roscioli, J.R.; Johnson, M.A.; Miller, T.M.; Viggiano, A.A.; Villano, S.M.; Wren, S.W.; Lineberger, Spectroscopic characterization of the isolated SF6- and C4F8- anions: Observation of very long harmonic progressions in symmetric deformation modes upon photodetachment, J. Phys. Chem. A, 2007, 111, 7, 1214-1221, https://doi.org/10.1021/jp0665372 . [all data]

Lobring, Check, et al., 2003
Lobring, K.C.; Check, C.E.; Gilbert, T.M.; Sunderlin, L.S., New measurements of the thermochemistry of SF5- and SF6-, Int. J. Mass Spectrom., 2003, 227, 3, 361-372, https://doi.org/10.1016/S1387-3806(03)00105-2 . [all data]

Chen and Chen, 2007
Chen, E.C.M.; Chen, E.S., Electron affinities and activation energies for reactions with thermal electrons: SF6 and SF5, Phys. Rev. A, 2007, 76, 3, 032508, https://doi.org/10.1103/PhysRevA.76.032508 . [all data]

Chen, Shuie, et al., 1988
Chen, E.C.M.; Shuie, L.-R.; DSa, E.D.; Batten, C.F.; Wentworth, W.E., The Negative Ion States of SF6, J. Chem. Phys., 1988, 88, 8, 4711, https://doi.org/10.1063/1.454710 . [all data]

Chase Jr., Curnutt, et al., 1982
Chase Jr.; Curnutt, J.L.; Downy Jr.; McDonald, R.A.; Syverrud, A.N.; Valenzuela, E.A., JANAF Thermochemical Tables 1982 Supplement, J. Phys. Chem. Ref. Data, 1982, 11, 3, 695, https://doi.org/10.1063/1.555666 . [all data]

Compton, Reinhardt, et al., 1978
Compton, R.N.; Reinhardt, P.W.; Cooper, C.D., Collisional ionization between fast alkali atoms and selected hexafluoride molecules, J. Chem. Phys., 1978, 68, 2023. [all data]

Hubers and Los, 1975
Hubers, M.M.; Los, J., Ion pair formation in alkali-SF6 collisions: Dependence on collisional and vibrational energy, Chem. Phys., 1975, 10, 235. [all data]

Compton and Cooper, 1973
Compton, R.N.; Cooper, C.D., Molecular electron affinities from collisional ionization of cesium. II. SF6 and TeF6, J. Chem. Phys., 1973, 59, 4140. [all data]

Lifshitz, Tiernan, et al., 1973
Lifshitz, C.; Tiernan, T.O.; Hughes, B.M., Electron affinities from endothermic negative-ion charge transfer reactions. IV. SF6, selected fluorocarbons, and other polyatomic molecules, J. Chem. Phys., 1973, 59, 3182. [all data]

Curran, 1961
Curran, R.K., Positive and negative ion formation in CCl3F, J. Chem. Phys., 1961, 34, 2007. [all data]

Kay and Page, 1964
Kay, J.; Page, F.M., Determination of Electron Affinities. Part 7.- Sulphur Hexafluoride and Disulphur Decafluoride, Trans. Farad. Soc., 1964, 60, 1042, https://doi.org/10.1039/tf9646001042 . [all data]

Becker, Hrusak, et al., 1994
Becker, H.; Hrusak, J.; Schwarz, H.; Bohme, D.K., Two isomers of SF5 and SF5+: Structures and energetics, J. Chem. Phys., 1994, 100, 1759. [all data]

Fischer, Kickel, et al., 1992
Fischer, E.R.; Kickel, B.L.; Armentrout, P.B., Collision-induced dissociation and charge transfer reactions of SFx+ (x = 1-5_): Thermochemistry of sulfur fluoride ions and neutrals, J. Chem. Phys., 1992, 97, 4859. [all data]

Sieck and Ausloos, 1990
Sieck, L.W.; Ausloos, P.J., The ionization energy of SF5 and the SF5-F bond dissociation energy, J. Chem. Phys., 1990, 93, 8374. [all data]

Langford, Almeida, et al., 1990
Langford, M.L.; Almeida, D.P.; Harris, F.M., Measurements of single ionization energies or electron affinities of SFn molecules (n = 1-5) using double-charge-transfer spectroscopy, Int. J. Mass Spectrom. Ion Processes, 1990, 98, 147. [all data]

Stone and Wytenberg, 1989
Stone, J.A.; Wytenberg, W.J., A high pressure mass spectrometric study of the formation and chemistry of the pentafluorosulphur cation (SF5+), Int. J. Mass Spectrom. Ion Processes, 1989, 94, 269. [all data]

Baumgartel, Jochims, et al., 1989
Baumgartel, H.; Jochims, H.-W.; Ruhl, E., Photoionenspektroskopic an schwefelchloridpentafluorid SF5Cl, das ionisationspotential von schwefelpentafluorid SF5, Z. Naturforsch. B:, 1989, 44, 21. [all data]

Babcock and Streit, 1981
Babcock, L.M.; Streit, G.E., Ion-molecule reactions of SF6: Determination of I. P. (SF6), A. P.(SF5+/SF6), and D(SF5-F), J. Chem. Phys., 1981, 74, 5700. [all data]


Notes

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