Sulfur trifluoride


Gas phase thermochemistry data

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

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-120.23kcal/molReviewChase, 1998Data last reviewed in June, 1977
Quantity Value Units Method Reference Comment
gas,1 bar68.365cal/mol*KReviewChase, 1998Data last reviewed in June, 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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. to 6000.
A 18.89000
B 0.840722
C -0.234059
D 0.021282
E -0.374292
F -127.1490
G 88.87990
H -120.2270
ReferenceChase, 1998
Comment Data last reviewed in June, 1977

Reaction thermochemistry data

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

(F4S- • 4294967295Sulfur trifluoride) + Sulfur trifluoride = F4S-

By formula: (F4S- • 4294967295F3S) + F3S = F4S-

Quantity Value Units Method Reference Comment
Δr42.4 ± 3.2kcal/molTherMiller, Miller, et al., 1995gas phase
Δr43.5 ± 7.6kcal/molTherViggiano, MIller, et al., 1991gas phase; Between mCF3-nitrobenzene, C6F5NO2
Δr63.2 ± 9.3kcal/molTherBabcock and Streit, 1981gas phase; EA: between NO2-, HS-

Gas phase ion energetics data

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

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:
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess

View reactions leading to F3S+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
3.07 ± 0.20NBAECompton, Reinhardt, et al., 1978From SF6; B
2.90 ± 0.10EIAEHarland and Thynne, 1971From SF4; B
2.50 ± 0.50IMRBMiller, Miller, et al., 1995S- + SF4 -> SF3- + SF observed. SF3- + SF4 -> SF5- + SF2 observed; B
2.73 ± 0.65N/AChase Jr., Curnutt, et al., 1982Reanalysis: Harland and Thynne, 1971; B
2.71SIPage and Goode, 1969The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
8.18 ± 0.07ENDFischer, Kickel, et al., 1992LL
7.3EILangford, Almeida, et al., 1990LL

Ion clustering data

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

(F4S- • 4294967295Sulfur trifluoride) + Sulfur trifluoride = F4S-

By formula: (F4S- • 4294967295F3S) + F3S = F4S-

Quantity Value Units Method Reference Comment
Δr42.4 ± 3.2kcal/molTherMiller, Miller, et al., 1995gas phase
Δr43.5 ± 7.6kcal/molTherViggiano, MIller, et al., 1991gas phase; Between mCF3-nitrobenzene, C6F5NO2
Δr63.2 ± 9.3kcal/molTherBabcock and Streit, 1981gas phase; EA: between NO2-, HS-

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:   X


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

Eq. SF2 s-str. 843.8 Ar IR Hassanzadeh and Andrews, 1992
Ax. SF2 a-str. 681.8 Ar IR Smardzewski and Fox, 1976
Smardzewski and Fox, 1977
Hassanzadeh and Andrews, 1992

Additional references: Jacox, 1994, page 226; Colussi, Morton, et al., 1974; Morton, Preston, et al., 1978


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]

Miller, Miller, et al., 1995
Miller, A.E.S.; Miller, T.M.; Viggiano, A.A.; Morris, R.A.; Vandoren, J.M.; Arnold, S.T.; Paulson, J., Negative ion chemistry of SF4, J. Chem. Phys., 1995, 102, 22, 8865, https://doi.org/10.1063/1.468940 . [all data]

Viggiano, MIller, et al., 1991
Viggiano, A.A.; MIller, T.M.; Miller, A.E.S.; Morris, R.A.; Van Doren, J.M.; Paulson, J.F., SF4: Electron Affinity Determination by Charge Transfer Reactions, Int. J. Mass Spectrom. Ion Proc., 1991, 109, 327, https://doi.org/10.1016/0168-1176(91)85112-Y . [all data]

Babcock and Streit, 1981
Babcock, L.M.; Streit, G.E., Negative ion-molecule reactions of SF4, J. Chem. Phys., 1981, 75, 3864. [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]

Harland and Thynne, 1971
Harland, P.W.; Thynne, J.C.J., Autodetachment lifetimes, attachment cross sections, and negative ions formed by sulfur hexafluoride and sulfur tetrafluoride, J. Phys. Chem., 1971, 75, 3517. [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]

Page and Goode, 1969
Page, F.M.; Goode, G.C., Negative Ions and the Magnetron., Wiley, NY, 1969. [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]

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]

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]

Smardzewski and Fox, 1976
Smardzewski, R.R.; Fox, W.B., Photolysis of sulfur tetrafluoride in an argon matrix: infrared evidence for formation of the SF3· radical and SF2., J. Fluorine Chem., 1976, 7, 1-3, 353, https://doi.org/10.1016/S0022-1139(00)84007-5 . [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]

Colussi, Morton, et al., 1974
Colussi, A.J.; Morton, J.R.; Preston, K.F.; Fessenden, R.W., ESR spectra of PF2 and SF3 radicals, J. Chem. Phys., 1974, 61, 3, 1247, https://doi.org/10.1063/1.1682004 . [all data]

Morton, Preston, et al., 1978
Morton, J.R.; Preston, K.F.; Strach, S.J., The EPR spectrum of SF3 trapped in SF3BF4 crystals, J. Chem. Phys., 1978, 69, 4, 1392, https://doi.org/10.1063/1.436766 . [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