sulphur trioxide

• Formula: O₃S
• Molecular weight: 80.063
• IUPAC Standard InChI: InChI=1S/O3S/c1-4(2)3 Copy

  
• IUPAC Standard InChIKey: AKEJUJNQAAGONA-UHFFFAOYSA-N Copy
• CAS Registry Number: 7446-11-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Sulfur trioxide
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
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  • 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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

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

Enthalpy of vaporization

Antoine Equation Parameters

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

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Enthalpy of fusion

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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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. 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

(FO₃S • 4294967295) +  = FO₃S

By formula: (FO₃S • 4294967295O₃S) + O₃S = FO₃S

(CAS Reg. No. 14996-02-2 • 4294967295) +  = CAS Reg. No. 14996-02-2

By formula: (CAS Reg. No. 14996-02-2 • 4294967295O₃S) + O₃S = CAS Reg. No. 14996-02-2

 +  = ( • )

By formula: Cl^- + O₃S = (Cl^- • O₃S)

(O₄S^- • 4294967295) +  = O₄S^-

By formula: (O₄S^- • 4294967295O₃S) + O₃S = O₄S^-

 +  = C₈H₁₈O₄S

By formula: C₈H₁₈O + O₃S = C₈H₁₈O₄S

 +  = ( • )

By formula: F^- + O₃S = (F^- • O₃S)

 +  = IO₃S^-

By formula: I^- + O₃S = IO₃S^-

 +  = BrO₃S^-

By formula: Br^- + O₃S = BrO₃S^-

Henry's Law 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: Rolf Sander

Error: Bad or missing data.

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:
HL - Edward P. Hunter and Sharon G. Lias
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 O₃S⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

Appearance 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 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

 +  = BrO₃S^-

By formula: Br^- + O₃S = BrO₃S^-

 +  = ( • )

By formula: Cl^- + O₃S = (Cl^- • O₃S)

 +  = ( • )

By formula: F^- + O₃S = (F^- • O₃S)

 +  = IO₃S^-

By formula: I^- + O₃S = IO₃S^-

(O₄S^- • 4294967295) +  = O₄S^-

By formula: (O₄S^- • 4294967295O₃S) + O₃S = O₄S^-

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: Takehiko Shimanouchi

Symmetry:   D_3h     Symmetry Number σ = 6

Source: Shimanouchi, 1972

Notes

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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]

Kondrat'ev and Strizhov, 1985
Kondrat'ev, S.N.; Strizhov, B.V., Zh. Fiz. Khim., 1985, 59, 2933. [all data]

Abercromby and Tiley, 1963
Abercromby, D.C.; Tiley, P.F., 937. The Condensed phases of sulphur trioxide. Part II. Vapour pressure of the liquid at temperatures up to the critical point, J. Chem. Soc., 1963, 4902, https://doi.org/10.1039/jr9630004902 . [all data]

Abercromby and Tiley, 1963, 2
Abercromby, D.C.; Tiley, P.F., The Condensed Phases of Sulphur Trioxide. Part II. Vapour Pressure of the Liquid at Temperatures up to the Critical Point, J. Chem. Soc., 1963, 4902-4904, https://doi.org/10.1039/jr9630004902 . [all data]

Kondrat'ev and Strizhov, 1989
Kondrat'ev, S.N.; Strizhov, B.V., Russ. J. Phys. Chem., 1989, 63, 656. [all data]

Viggiano, Henchman, et al., 1992
Viggiano, A.A.; Henchman, M.J.; Dale, F.; Deakyne, C.A.; Paulson, J.F., Gas-Phase Reactions of Weak Bronsted Bases I-, PO3-, HSO4-, FSO3-, and CF3SO3- with Strong Bronsted Acids H2SO4, FSO3H, and CF3SO3H - A Quantitative Study, J. Am. Chem. Soc., 1992, 114, 11, 4299, https://doi.org/10.1021/ja00037a039 . [all data]

Hao, Gilbert, et al., 2006
Hao, C.; Gilbert, T.M.; Sunderlin, L.S., The Bond Dissociation Energies of SO3-X- (X = F, Cl, Br, and I), Can. J. Chem., 2006, 83, 11, 2013-2019, https://doi.org/10.1139/v05-216 . [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]

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]

Wang, Nicholas, et al., 2000
Wang, X.B.; Nicholas, J.B.; Wang, L.S., Photoelectron spectroscopy and theoretical calculations of SO4- and HSO4-: Confirmation of high electron affinities of SO4 and HSO4, J. Phys. Chem. A, 2000, 104, 3, 504-508, https://doi.org/10.1021/jp992726r . [all data]

Markitanova, Barsukov, et al., 1981
Markitanova, L.I.; Barsukov, I.I.; Passet, B.V., Determination of heat of sulfation by calorimetric titration, J. Gen. Chem. USSR, 1981, 51, 1286-1289. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Gleason, 1987
Gleason, J.F., as cited in 95MIL/VIG, Ph.D. dissertation, Univ. of Colorado,, 1987. [all data]

Dobrin, Boo, et al., 2000
Dobrin, S.; Boo, B.H.; Alconcel, L.S.; Continetti, R.E., Photoelectron spectroscopy of SO3- at 355 and 266 nm, J. Phys. Chem. A, 2000, 104, 46, 10695-10700, https://doi.org/10.1021/jp0025680 . [all data]

Rudny, Sidorov, et al., 1985
Rudny, E.B.; Sidorov, L.N.; Voyk, O.M., Heterolytic Dissociation of Potassium Sulfate in the Gas Phase and Heats of Formation for Trioxosulfate(1^-), Tetraoxosulfate(1^-), and Potassium Sulfate(KSO₄^-) Ions, High Temp., 1985, 23, 238. [all data]

Rothe, Tang, et al., 1975
Rothe, E.W.; Tang, S.Y.; Reck, G.P., Measurement of electron affinities of O₃, SO₂, and SO₃ by collisional ionization, J. Chem. Phys., 1975, 62, 3829. [all data]

Snow and Thomas, 1990
Snow, K.B.; Thomas, T.F., Mass spectrum, ionization potential, and appearance potentials for fragment ions of sulfuric acid vapor, Int. J. Mass Spectrom. Ion Processes, 1990, 96, 49. [all data]

Smith and Stevenson, 1981
Smith, O.I.; Stevenson, J.S., Determination of cross sections for formation of parent and fragment ions by electron impact from SO₂ and SO₃, J. Chem. Phys., 1981, 74, 6777. [all data]

Lloyd, Roberts, et al., 1976
Lloyd, D.R.; Roberts, P.J.; Hillier, I.H.; Shenton, I.C., On the photoelectron spectrum of sulphur trioxide, Mol. Phys., 1976, 31, 1549. [all data]

Alderdice and Dixon, 1976
Alderdice, D.S.; Dixon, R.N., Photoelectron spectrum of sulphur trioxide, J. Chem. Soc. Faraday Trans. 2, 1976, 72, 372. [all data]

Mines and Thomas, 1974
Mines, G.W.; Thomas, R.K., The photoelectron spectrum of sulphur trioxide: Jahn-Teller distortion in SO₃⁺, Proc. R. Soc. London A:, 1974, 336, 355. [all data]

DeKock and Lloyd, 1973
DeKock, R.L.; Lloyd, D.R., The He^Iphotoelectron spectrum of sulphur trioxide, J. Chem. Soc. Dalton Trans., 1973, 526. [all data]

Ficalora, Uy, et al., 1968
Ficalora, P.J.; Uy, O.M.; Muenow, D.W.; Margrave, J.L., Mass spectrometric studies at high temperatures: XXIX. Thermal decomposition and sublimation of alkali metal sulfates, J. Am. Ceram. Soc., 1968, 51, 574. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  Tfus	Fusion (melting) point
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

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