Sulfur tetrafluoride

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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.

Quantity Value Units Method Reference Comment
Δfgas-763.16kJ/molReviewChase, 1998Data last reviewed in June, 1976
Quantity Value Units Method Reference Comment
gas,1 bar299.64J/mol*KReviewChase, 1998Data last reviewed in June, 1976

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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Temperature (K) 298. to 600.600. to 6000.
A 29.37896106.7707
B 261.16780.905459
C -345.0218-0.213326
D 168.13700.016546
E -0.305321-3.601403
F -781.8390-806.3070
G 269.4630410.6019
H -763.1616-763.1616
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1976 Data last reviewed in June, 1976

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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil236. ± 3.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus152.KN/AStreng, 1971Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Tc364.1KN/ATollock, Fawcett, et al., 1960Uncertainty assigned by TRC = 1. K; TRC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Reference Comment
21.1185.Dykyj, Svoboda, et al., 1999Based on data from 170. to 250. K.; AC
24.6192.Brown and Robinson, 1955Based on data from 160. to 224. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
160.8 to 224.03.86848706.12-53.207Brown and Robinson, 1955, 2Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - 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

Fluorine anion + Sulfur tetrafluoride = (Fluorine anion • Sulfur tetrafluoride)

By formula: F- + F4S = (F- • F4S)

Quantity Value Units Method Reference Comment
Δr183.kJ/molICRLarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Δr183.kJ/molICRLarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Δr107.J/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Δr151.kJ/molICRLarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Δr151.kJ/molICRLarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M

(Fluorine anion • 4294967295Sulfur tetrafluoride) + Sulfur tetrafluoride = Fluorine anion

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

Quantity Value Units Method Reference Comment
Δr230. ± 9.6kJ/molCIDTLobring, Check, et al., 2003gas phase; B
Δr226. ± 27.kJ/molTherLeffert, Tang, et al., 1974gas phase; From SF6; B
Δr>169. ± 14.kJ/molIMRBBabcock and Streit, 1981gas phase; Fluoride Affinity: SF4 > SF5; B
Δr183. ± 8.4kJ/molIMRELarson and McMahon, 1983gas 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
Quantity Value Units Method Reference Comment
Δr151. ± 8.4kJ/molIMRELarson and McMahon, 1983gas 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

CN- + Sulfur tetrafluoride = (CN- • Sulfur tetrafluoride)

By formula: CN- + F4S = (CN- • F4S)

Quantity Value Units Method Reference Comment
Δr108. ± 4.2kJ/molIMRELarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr130.J/mol*KN/ALarson, Szulejko, et al., 1988gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Δr70.7 ± 2.1kJ/molIMRELarson, Szulejko, et al., 1988gas phase; B,M

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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to F4S+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)12.0 ± 0.3eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
1.50 ± 0.20IMRBMiller, Miller, et al., 1995B
1.50 ± 0.20IMRBViggiano, MIller, et al., 1991Between mCF3-nitrobenzene, C6F5NO2; B
2.35 ± 0.10IMRBBabcock and Streit, 1981EA: between NO2-, HS-; B
0.78 ± 0.20NBIECompton, Reinhardt, et al., 1978B
1.26 ± 0.10ESDonovan, Harland, et al., 1974B

Ionization energy determinations

IE (eV) Method Reference Comment
11.69 ± 0.06ENDFischer, Kickel, et al., 1992LL
12.3PECosta, Lloyd, et al., 1981LLK
12.8 ± 0.1PECosta, Lloyd, et al., 1981LLK
12.08 ± 0.10EIHildenbrand, 1973LLK
12.03 ± 0.05EIMuller and Fenderl, 1971LLK
12.28 ± 0.03EIGlemser, Muller, et al., 1968RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
F2S+17.4 ± 0.5?EIHildenbrand, 1973LLK
F3S+12.63 ± 0.10FEIHildenbrand, 1973LLK
SF3+12.70 ± 0.03FEIGlemser, Muller, et al., 1968RDSH

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

CN- + Sulfur tetrafluoride = (CN- • Sulfur tetrafluoride)

By formula: CN- + F4S = (CN- • F4S)

Quantity Value Units Method Reference Comment
Δr108. ± 4.2kJ/molIMRELarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr130.J/mol*KN/ALarson, Szulejko, et al., 1988gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Δr70.7 ± 2.1kJ/molIMRELarson, Szulejko, et al., 1988gas phase; B,M

Fluorine anion + Sulfur tetrafluoride = (Fluorine anion • Sulfur tetrafluoride)

By formula: F- + F4S = (F- • F4S)

Quantity Value Units Method Reference Comment
Δr183.kJ/molICRLarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Δr183.kJ/molICRLarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Δr107.J/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Δr151.kJ/molICRLarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Δr151.kJ/molICRLarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M

(Fluorine anion • 4294967295Sulfur tetrafluoride) + Sulfur tetrafluoride = Fluorine anion

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

Quantity Value Units Method Reference Comment
Δr230. ± 9.6kJ/molCIDTLobring, Check, et al., 2003gas phase; B
Δr226. ± 27.kJ/molTherLeffert, Tang, et al., 1974gas phase; From SF6; B
Δr>169. ± 14.kJ/molIMRBBabcock and Streit, 1981gas phase; Fluoride Affinity: SF4 > SF5; B
Δr183. ± 8.4kJ/molIMRELarson and McMahon, 1983gas 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
Quantity Value Units Method Reference Comment
Δr151. ± 8.4kJ/molIMRELarson and McMahon, 1983gas 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

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
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NIST MS number 1453

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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]

Streng, 1971
Streng, A.G., Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature, J. Chem. Eng. Data, 1971, 16, 357. [all data]

Tollock, Fawcett, et al., 1960
Tollock, C.W.; Fawcett, F.S.; Smith, W.C.; Coffman, D.D., The Chemistry of Sulfur Tetrafluoride I. The Synthesis of Sulfur Tetrafluoride, J. Am. Chem. Soc., 1960, 82, 539. [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Brown and Robinson, 1955
Brown, F.; Robinson, P.L., Preparation and some physical properties of sulphur tetrafluoride, J. Chem. Soc., 1955, 3147, https://doi.org/10.1039/jr9550003147 . [all data]

Brown and Robinson, 1955, 2
Brown, F.; Robinson, P.L., Preparation and Some Physical Properties of Sulphur Tetrafluoride, J. Chem. Soc., 1955, 3147-3151, https://doi.org/10.1039/jr9550003147 . [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]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [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]

Leffert, Tang, et al., 1974
Leffert, C.B.; Tang, S.Y.; Rothe, E.W.; Cheng, T.C., Collisional ionization of Cs with SF6, J. Chem. Phys., 1974, 61, 4929. [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]

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]

Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B., Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements., J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004 . [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO2-, NO3-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [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]

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]

Donovan, Harland, et al., 1974
Donovan, R.J.; Harland, P.W.; Knox, J.H.; Makowski, J.A.; Thynne, J.C.J., Electron affinity of SF4, Int. J. Mass Spectrom. Ion Phys., 1974, 13, 464. [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]

Costa, Lloyd, et al., 1981
Costa, N.C.V.; Lloyd, D.R.; Roberts, P.J.; Cruickshank, D.W.J.; Avramides, E.; Chablo, A.; Collins, G.A.D.; Dobson, B.; Hillier, I.H., Experimental and theoretical study of the electronic structures of thionyl fluoride, sulphur tetrafluoride and sulphur tetrafluoride Oxode, J. Chem. Soc. Faraday Trans. 2, 1981, 77, 899. [all data]

Hildenbrand, 1973
Hildenbrand, D.L., Mass spectrometric studies of some gaseous sulfur fluorides, J. Phys. Chem., 1973, 77, 897. [all data]

Muller and Fenderl, 1971
Muller, J.; Fenderl, K., Reaktionen des π-Cyclopentadienyl-Mangantricarbonyl-Kations mit einfachen Fluorverbindungen in der gasphase, Chem. Ber., 1971, 104, 2207. [all data]

Glemser, Muller, et al., 1968
Glemser, O.; Muller, A.; Bohler, D.; Krebs, B., Die N-S-Bindung: Bindungslangen Kraftkonstanten, Bindungsgrade und Bindungsenergien, Z. Anorg. Allgem. Chem., 1968, 357, 184. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References