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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
Deltafgas-908.45kJ/molReviewChase, 1998Data last reviewed in December, 1977
Quantity Value Units Method Reference Comment
gas,1 bar304.75J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. - 600.600. - 6000.
A 24.68489132.3717
B 369.4384-0.558957
C -497.95040.583902
D 246.3008-0.052197
E -0.662725-4.993018
F -930.5383-963.6882
G 240.7055439.6882
H -908.4468-908.4468
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- bullet 4294967295Sulfur pentafluoride) + Sulfur pentafluoride = F6S-

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

Quantity Value Units Method Reference Comment
Deltar169. ± 14.kJ/molN/AGrimsrud, Chowdhury, et al., 1985gas phase; «DELTA»Gea(423 K) = -29.8 kcal/mol; «DELTA»Sea = +13 eu. See also Chowdhury, Heinis, et al., 1986, Bopp, Roscioli, et al., 2007
Deltar179. ± 12.kJ/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
Deltaf(+) ion11. ± 18.kJ/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

Ion clustering 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

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

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

Quantity Value Units Method Reference Comment
Deltar169. ± 14.kJ/molN/AGrimsrud, Chowdhury, et al., 1985gas phase; «DELTA»Gea(423 K) = -29.8 kcal/mol; «DELTA»Sea = +13 eu. See also Chowdhury, Heinis, et al., 1986, Bopp, Roscioli, et al., 2007
Deltar179. ± 12.kJ/molCIDTLobring, Check, et al., 2003gas phase; Affinity: SF5- + F. Barrier to dissociation, but less than barrier to photodissociation

Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Ne 200 235 Kronberg, von Ahsen, et al., 2005

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Eq. s-stretch 891.7 w m Ne IR Kronberg, von Ahsen, et al., 2005
1 Eq. s-stretch 887 Ar IR Hassanzadeh and Andrews, 1992
Kronberg, von Ahsen, et al., 2005
2 633.0 w Ne IR Kronberg, von Ahsen, et al., 2005
2 631 Ar IR Kronberg, von Ahsen, et al., 2005
3 SF stretch 553.8 Ne IR Lugez, Jacox, et al., 1998
Kronberg, von Ahsen, et al., 2005
3 SF stretch 552 m Ar IR Smardzewski and Fox, 1976
Smardzewski and Fox, 1977
Kronberg, von Ahsen, et al., 2005
e 7 SF a-stretch 817.8 vs Ne IR Lugez, Jacox, et al., 1998
Kronberg, von Ahsen, et al., 2005
7 SF a-stretch 813.1 vs Ar IR Smardzewski and Fox, 1976
Smardzewski and Fox, 1977
Hassanzadeh and Andrews, 1992
8 524.7 w Ne IR Kronberg, von Ahsen, et al., 2005
8 524 Ar IR Kronberg, von Ahsen, et al., 2005
9 387.2 w Ne IR Kronberg, von Ahsen, et al., 2005
9 384 Ar IR Kronberg, von Ahsen, et al., 2005

Additional references: Jacox, 1994, page 358; Jacox, 2003, page 333; Fessenden and Schuler, 1966; Morton and Preston, 1973

Notes

wWeak
mMedium
vsVery strong

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, NIST Free Links, 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]

Kronberg, von Ahsen, et al., 2005
Kronberg, M.; von Ahsen, S.; Willner, H.; Francisco, J.S., The SF5Ox Radicals,x=0-3, Angew. Chem. Int. Ed., 2005, 44, 2, 253, https://doi.org/10.1002/anie.200461235 . [all data]

Hassanzadeh and Andrews, 1992
Hassanzadeh, P.; Andrews, L., Matrix reactions of sulfur atoms and fluorine. Infrared spectra of sulfur monofluoride, sulfur difluoride and sulfur trifluoride in solid argon, J. Phys. Chem., 1992, 96, 1, 79, https://doi.org/10.1021/j100180a018 . [all data]

Lugez, Jacox, et al., 1998
Lugez, C.L.; Jacox, M.E.; King, R.A.; Schaefer, H.F., III, Experimental and ab initio study of the infrared spectra of ionic species derived from SF[sub 6] and SF[sub 4] and trapped in solid neon, J. Chem. Phys., 1998, 108, 23, 9639, https://doi.org/10.1063/1.476440 . [all data]

Smardzewski and Fox, 1976
Smardzewski, R.R.; Fox, W.B., Isolation and infrared spectral identification of the pentafluorosulfanyl radical, J. Fluorine Chem., 1976, 7, 4, 456, https://doi.org/10.1016/S0022-1139(00)82111-9 . [all data]

Smardzewski and Fox, 1977
Smardzewski, R.R.; Fox, W.B., Vacuum ultraviolet photolysis of sulfur hexafluoride and its derivatives in argon matrices. The infrared spectrum of the SF5 radical, J. Chem. Phys., 1977, 67, 5, 2309, https://doi.org/10.1063/1.435066 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Fessenden and Schuler, 1966
Fessenden, R.W.; Schuler, R.H., Isotropic ESR Spectra of Fluorine-Containing Radicals in SF6 Matrices, J. Chem. Phys., 1966, 45, 5, 1845, https://doi.org/10.1063/1.1727845 . [all data]

Morton and Preston, 1973
Morton, J.R.; Preston, K.F., An EPR study of the addition of oxy-radicals to sulphur tetraflouride, Chem. Phys. Lett., 1973, 18, 1, 98, https://doi.org/10.1016/0009-2614(73)80349-5 . [all data]


Notes

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