Sulfur dioxide

• Formula: O₂S
• Molecular weight: 64.064
• IUPAC Standard InChI: InChI=1S/O2S/c1-3-2 Copy

  
• IUPAC Standard InChIKey: RAHZWNYVWXNFOC-UHFFFAOYSA-N Copy
• CAS Registry Number: 7446-09-5
• 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: Sulfurous acid anhydride; Fermenicide powder; Fermenticide liquid; Sulfur oxide (SO2); Sulfurous anhydride; Sulfurous oxide; SO2; Sulphur dioxide; Fermenicide liquid; Schwefeldioxyd; Siarki dwutlenek; Sulfur oxide; UN 1079; Sulfur dioxide (SO2); Sulfur superoxide
• 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 (reactions 1 to 50)
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 102
  • Henry's Law data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • Fluid Properties
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes

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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Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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 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. 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.

Reactions 1 to 50

 +  = ( • )

By formula: Cl^- + O₂S = (Cl^- • O₂S)

Free energy of reaction

 +  = ( • )

By formula: F^- + O₂S = (F^- • O₂S)

 +  = ( • )

By formula: NO₃^- + O₂S = (NO₃^- • O₂S)

Free energy of reaction

 +  = ( • )

By formula: I^- + O₂S = (I^- • O₂S)

Free energy of reaction

O₂S^- +  = (O₂S^- • )

By formula: O₂S^- + O₂S = (O₂S^- • O₂S)

 +  = ( • )

By formula: NO₂^- + O₂S = (NO₂^- • O₂S)

CO₃^- +  = (CO₃^- • )

By formula: CO₃^- + O₂S = (CO₃^- • O₂S)

Free energy of reaction

( • ) +  = ( •  • )

By formula: (Cl^- • O₂S) + H₂O = (Cl^- • H₂O • O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

Free energy of reaction

( • ) +  = ( • 2)

By formula: (Cl^- • O₂S) + O₂S = (Cl^- • 2O₂S)

( • ) +  = ( • 2)

By formula: (NO₂^- • O₂S) + O₂S = (NO₂^- • 2O₂S)

( • 3) +  = ( • 4)

By formula: (Na⁺ • 3O₂S) + O₂S = (Na⁺ • 4O₂S)

Free energy of reaction

( • ) +  = ( •  • )

By formula: (Br^- • O₂S) + HBr = (Br^- • HBr • O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

( •  • ) +  = ( • 2 • )

By formula: (Cl^- • O₂S • H₂O) + O₂S = (Cl^- • 2O₂S • H₂O)

Free energy of reaction

 +  = ( • )

By formula: Na⁺ + O₂S = (Na⁺ • O₂S)

( • ) +  = ( •  • )

By formula: (Br^- • O₂S) + HCl = (Br^- • HCl • O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

( • 2) +  = ( •  • 2)

By formula: (Cl^- • 2H₂O) + O₂S = (Cl^- • O₂S • 2H₂O)

Free energy of reaction

(O₂S^- • ) +  = (O₂S^- • 2)

By formula: (O₂S^- • O₂S) + O₂S = (O₂S^- • 2O₂S)

( •  • ) +  = ( • 2 • )

By formula: (Cl^- • H₂O • O₂S) + H₂O = (Cl^- • 2H₂O • O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

( • 2) +  = ( •  • 2)

By formula: (Cl^- • 2O₂S) + H₂O = (Cl^- • H₂O • 2O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

( • 2) +  = ( • 3)

By formula: (NO₂^- • 2O₂S) + O₂S = (NO₂^- • 3O₂S)

( • ) +  = ( •  • )

By formula: (Cl^- • O₂S) + HCl = (Cl^- • HCl • O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

( • ) +  = ( •  • )

By formula: (Cl^- • H₂O) + O₂S = (Cl^- • O₂S • H₂O)

Free energy of reaction

HO₂S⁺ +  = (HO₂S⁺ • )

By formula: HO₂S⁺ + O₂S = (HO₂S⁺ • O₂S)

( • 2) +  = ( • 3)

By formula: (Cl^- • 2O₂S) + O₂S = (Cl^- • 3O₂S)

( • 2) +  = ( • 3)

By formula: (I^- • 2O₂S) + O₂S = (I^- • 3O₂S)

( • ) +  = ( • 2)

By formula: (I^- • O₂S) + O₂S = (I^- • 2O₂S)

( • 3) +  = ( • 4)

By formula: (Cl^- • 3O₂S) + O₂S = (Cl^- • 4O₂S)

( • ) +  = ( •  • )

By formula: (I^- • O₂S) + H₂O = (I^- • H₂O • O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

Free energy of reaction

HO^- +  = (HO^- • )

By formula: HO^- + O₂S = (HO^- • O₂S)

 +  = ( • )

By formula: Br^- + O₂S = (Br^- • O₂S)

CN^- +  = (CN^- • )

By formula: CN^- + O₂S = (CN^- • O₂S)

 +  = ( • )

By formula: Cs⁺ + O₂S = (Cs⁺ • O₂S)

Free energy of reaction

( • ) +  = ( •  • )

By formula: (NO₂^- • O₂S) + C₂H₅NO₃ = (NO₂^- • C₂H₅NO₃ • O₂S)

( • 2 • ) +  = ( • 3 • )

By formula: (H₄N⁺ • 2H₂O • O₂S) + H₂O = (H₄N⁺ • 3H₂O • O₂S)

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( • 2)

By formula: (NO₃^- • O₂S) + O₂S = (NO₃^- • 2O₂S)

( •  • ) +  = ( • 2 • )

By formula: (H₄N⁺ • H₂O • O₂S) + H₂O = (H₄N⁺ • 2H₂O • O₂S)

Bond type: Hydrogen bond (positive ion to hydride)

(O₂S^- • 2 • 3) +  = (O₂S^- • 3 • 3)

By formula: (O₂S^- • 2H₂O • 3O₂S) + H₂O = (O₂S^- • 3H₂O • 3O₂S)

(O₂S^- • 2 • 4) +  = (O₂S^- • 3 • 4)

By formula: (O₂S^- • 2H₂O • 4O₂S) + H₂O = (O₂S^- • 3H₂O • 4O₂S)

(O₂S^- • 5 • 2) +  = (O₂S^- • 6 • 2)

By formula: (O₂S^- • 5O₂S • 2H₂O) + O₂S = (O₂S^- • 6O₂S • 2H₂O)

(O₂S^- • 6 • 2) +  = (O₂S^- • 7 • 2)

By formula: (O₂S^- • 6O₂S • 2H₂O) + O₂S = (O₂S^- • 7O₂S • 2H₂O)

(O₂S^- •  • 3) +  = (O₂S^- • 2 • 3)

By formula: (O₂S^- • H₂O • 3O₂S) + H₂O = (O₂S^- • 2H₂O • 3O₂S)

(O₂S^- •  • 4) +  = (O₂S^- • 2 • 4)

By formula: (O₂S^- • H₂O • 4O₂S) + H₂O = (O₂S^- • 2H₂O • 4O₂S)

( • 4) +  = ( •  • 4)

By formula: (H₃O⁺ • 4H₂O) + O₂S = (H₃O⁺ • O₂S • 4H₂O)

Free energy of reaction

(O₂S^- • 6 • ) +  = (O₂S^- • 7 • )

By formula: (O₂S^- • 6O₂S • H₂O) + O₂S = (O₂S^- • 7O₂S • H₂O)

( • ) +  = ( •  • )

By formula: (NO₃^- • O₂S) + H₂O = (NO₃^- • H₂O • O₂S)

Free energy of reaction

( • ) +  = ( •  • )

By formula: (I^- • H₂O) + O₂S = (I^- • O₂S • H₂O)

Free energy of reaction

(O₂S^- • 2 • ) +  = (O₂S^- • 3 • )

By formula: (O₂S^- • 2O₂S • O₂) + O₂S = (O₂S^- • 3O₂S • O₂)

(O₂S^- •  • ) +  = (O₂S^- • 2 • )

By formula: (O₂S^- • O₂S • O₂) + O₂S = (O₂S^- • 2O₂S • O₂)

(O₃S^- •  • ) +  = (O₃S^- • 2 • )

By formula: (O₃S^- • O₂S • O₂) + O₂S = (O₃S^- • 2O₂S • O₂)

 +  = ( • )

By formula: CH₃⁺ + O₂S = (CH₃⁺ • O₂S)

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes

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:
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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 O₂S⁺ (ion structure unspecified)

Electron affinity determinations

Gas basicity at 298K

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Caldwell and Kebarle, 1985
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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]

Bohringer, Fahey, et al., 1984
Bohringer, H.; Fahey, D.W.; Fehsenfeld, F.C.; Ferguson, E.E., Bond energies of the molecules H₂O, SO₂, H₂O₂, and HCl to various atmospheric negative ions, J. Chem. Phys., 1984, 81, 2805. [all data]

Keesee, Lee, et al., 1980
Keesee, R.G.; Lee, N.; Castleman, A.W., Jr., Properties of clusters in the gas phase: V. Complexes of neutral molecules onto negative ions, J. Chem. Phys., 1980, 73, 2195. [all data]

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Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl^-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl^- = RHCl^-, Can. J. Chem., 1982, 60, 1907. [all data]

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Keesee, R.G.; Castleman, A.W., Jr., Gas phase studies of hydration complexes of Cl- and I- and comparison to electrostatic calculations in the gas phase, Chem. Phys. Lett., 1980, 74, 139. [all data]

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Fehsenfeld, F.C.; Ferguson, E.E., Laboratory studies of negative ion reactions with atmospheric trace constituents, J. Chem. Phys., 1974, 61, 3181. [all data]

Lobring, Check, et al., 2003
Lobring, K.C.; Check, C.E.; Sunderlin, L.S., The fluoride affinity of SO2, Int. J. Mass Spectrom., 2003, 222, 1-3, 221-227, https://doi.org/10.1016/S1387-3806(02)00950-8 . [all data]

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Squires, R.R., Gas Phase Thermochemical Properties of the Bicarbonate and Bisulfate Ions, Int. J. Mass Spectrom. Ion Proc., 1992, 117, 565, https://doi.org/10.1016/0168-1176(92)80114-G . [all data]

Arshadi, Yamdagni, et al., 1970
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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]

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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]

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Wlodek, Luczynski, et al., 1983
Wlodek, S.; Luczynski, Z.; Wincel, H., Gas phase complexes of NO₂^- and NO₃^- with SO₂, Int. J. Mass Spectrom. Ion Processes, 1983, 49, 301. [all data]

Lee, Keesee, et al., 1980
Lee, N.; Keesee, R.G.; Castleman, A.W., Jr., The properties of clusters in the gas phase. IV. Complexes of H₂O and HNO_x clustering on NO_x-, J. Chem. Phys., 1980, 72, 1089. [all data]

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Banic, C.M.; Iribarne, J.V., Equilibrium Constants for Clustering of Neutral Molecules about Gaseous Ions, J. Chem. Phys., 1985, 83, 12, 6432, https://doi.org/10.1063/1.449543 . [all data]

Vacher, Leduc, et al., 1994
Vacher, J.R.; Leduc, E.; Fitaire, M., Stabilities of Anionic Mixed Clusters of Sulfur Dioxide and Water, Int. J. Mass Spectrom. Ion Proc., 1994, 135, 2-3, 139, https://doi.org/10.1016/0168-1176(94)03985-2 . [all data]

Dresch, Kramer, et al., 1991
Dresch, T.; Kramer, H.; Thurner, Y.; Weber, R., Photoelectrons from Negative Dimers and Clusters of Sulfur Dioxide, Chem. Phys. Lett., 1991, 177, 4-5, 383, https://doi.org/10.1016/0009-2614(91)85070-D . [all data]

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Snodgrass, J.T.; Coe, J.V.; Friedhoff, C.B.; McHugh, K.M.; Bowen, K.H., On the Photodissociation of (SO₂)₂^-, J. Chem. Phys., 1988, 88, 12, 8014, https://doi.org/10.1063/1.454261 . [all data]

Upschulte, Schelling, et al., 1984
Upschulte, B.L.; Schelling, F.J.; Keesee, R.G.; Castleman, A.W., Thermochemical Properties of Gas Phase Mixed Clusters: Water and Sulfur Dioxide with Na+ and Cl-, Chem. Phys. Lett., 1984, 111, 4-5, 389, https://doi.org/10.1016/0009-2614(84)85526-8 . [all data]

Castleman, Peterson, et al., 1983
Castleman, A.W.; Peterson, K.I.; Upschulte, B.L.; Schelling, F.J., Energetics and Structure of Na+ Cluster Ions, Int. J. Mass Spectrom. Ion Phys., 1983, 47, 203, https://doi.org/10.1016/0020-7381(83)87171-X . [all data]

Perry, Rowe, et al., 1980
Perry, R.A.; Rowe, B.R.; Viggiano, A.A.; Albritton, D.L.; Ferguson, E.E.; Fehsenfeld, F.C., Laboratory Measurements of Stratospheric Sodium Ion Measurements, Geophys. Res. Lett., 1980, 7, 9, 693, https://doi.org/10.1029/GL007i009p00693 . [all data]

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Vacher, J.R.; Jorda, M.; Leduc, E.; Fitaire, M., A Determination of the Stabilities of Negative Ion Clusters in SO2 and SO2-O2 Mixtures, Int. J. Mass Spectrom. Ion Proc., 1992, 114, 3, 149, https://doi.org/10.1016/0168-1176(92)80033-W . [all data]

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McKnight, L.G.; Sawina, J.M., Drift Velocities and Interactions of Cs+ Ions with Atmospheric Gases, J. Chem. Phys., 1972, 57, 12, 5156, https://doi.org/10.1063/1.1678205 . [all data]

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McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P., Methyl Cation Affinities, J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002 . [all data]

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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]

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Nimlos, M.R.; Ellison, G.B., Photoelectron spectroscopy of SO₂^-, S₃^-, and S₂O^-, J. Phys. Chem., 1986, 90, 2574. [all data]

Celotta, Bennett, et al., 1974
Celotta, R.S.; Bennett, R.A.; Hall, J.L., Laser Photodetachment Determination of the Electron Affinities of OH, NH₂, NH, SO₂, and S₂, J. Chem. Phys., 1974, 60, 5, 1740, https://doi.org/10.1063/1.1681268 . [all data]

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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]

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Hughes, B.M.; Lifschitz, C.; Tiernan, T.O., Electron affinities from endothermic negative-ion charge-transfer reactions. III. NO, NO₂, S₂, CS₂, Cl₂, Br₂, I₂, and C₂H, J. Chem. Phys., 1973, 59, 3162. [all data]

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Notes

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• 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)
  T	Temperature
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

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