Sulfur pentafluoride

• Formula: F₅S
• Molecular weight: 127.057
• IUPAC Standard InChI: InChI=1S/F5S/c1-6(2,3,4)5 Copy

  
• IUPAC Standard InChIKey: HAQZDUWRNKKMQY-UHFFFAOYSA-N Copy
• CAS Registry Number: 10546-01-7
• Chemical structure:
  This structure is also available as a 2d Mol file
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Data at other public NIST sites:
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
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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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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^- • 4294967295) +  = F₆S^-

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

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)

Electron affinity determinations

Ionization energy determinations

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^- • 4294967295) +  = F₆S^-

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

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 by: Marilyn E. Jacox

State:   ?

State:   X

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

Notes

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, 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 SF_x⁺ (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 SF_n 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

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

• Symbols used in this document:
  

  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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