Sulfur dioxide

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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.

Quantity Value Units Method Reference Comment
Δfgas-296.81 ± 0.20kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas-296.84kJ/molReviewChase, 1998Data last reviewed in June, 1961
Quantity Value Units Method Reference Comment
gas,1 bar248.223 ± 0.050J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar248.21J/mol*KReviewChase, 1998Data last reviewed in June, 1961

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 1200.1200. to 6000.
A 21.4304957.48188
B 74.350941.009328
C -57.75217-0.076290
D 16.355340.005174
E 0.086731-4.045401
F -305.7688-324.4140
G 254.8872302.7798
H -296.8422-296.8422
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1961 Data last reviewed in June, 1961

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

Chlorine anion + Sulfur dioxide = (Chlorine anion • Sulfur dioxide)

By formula: Cl- + O2S = (Cl- • O2S)

Quantity Value Units Method Reference Comment
Δr92.9 ± 8.4kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Δr87.4 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B
Δr92.9 ± 9.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M
Δr91.21 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Δr87.4kJ/molICRLarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Δr90.4J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Δr101.J/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(Cl-)H2O), Entropy change calculated or estimated; Keesee and Castleman, 1980; M
Δr87.0J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δr97.1J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr65.7 ± 8.4kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B
Δr61.5 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B
Δr62.8 ± 6.7kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M
Δr61.9 ± 1.3kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B
Δr61.5kJ/molICRLarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
59.4296.FAFehsenfeld and Ferguson, 1974gas phase; switching reaction(Cl-)H2O; M

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

By formula: F- + O2S = (F- • O2S)

Quantity Value Units Method Reference Comment
Δr225. ± 9.2kJ/molCIDTLobring, Check, et al., 2003gas phase; B
Δr222. ± 10.kJ/molCIDTSquires, 1992gas phase; B
Δr183.kJ/molICRLarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
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,M
Δr250.kJ/molSAMSRobbiani and Franklin, 1979gas phase; Cl- + CO2ClF --> SO2F- + Cl2, ΔrH>; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Δr96.2J/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
Δr153.kJ/molICRLarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Δr154. ± 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,M

NO3 anion + Sulfur dioxide = (NO3 anion • Sulfur dioxide)

By formula: NO3- + O2S = (NO3- • O2S)

Quantity Value Units Method Reference Comment
Δr72.0 ± 8.4kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M
Δr76.1 ± 5.0kJ/molTDAsWlodek, Luczynski, et al., 1983gas phase; B,M
Quantity Value Units Method Reference Comment
Δr105.J/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M
Δr132.J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr40. ± 8.4kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M
Δr41.84 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B
Δr36.8 ± 3.8kJ/molTDAsWlodek, Luczynski, et al., 1983gas phase; B
Δr44.4kJ/molFAFehsenfeld and Ferguson, 1974gas phase; switching reaction(NO3-)SO2, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
41.8299.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

Iodide + Sulfur dioxide = (Iodide • Sulfur dioxide)

By formula: I- + O2S = (I- • O2S)

Quantity Value Units Method Reference Comment
Δr59.8 ± 8.4kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Δr53.97 ± 0.42kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr73.6J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Δr84.5J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr38. ± 11.kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B
Δr7.11 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B
Δr28.5 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
38.301.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

O2S- + Sulfur dioxide = (O2S- • Sulfur dioxide)

By formula: O2S- + O2S = (O2S- • O2S)

Quantity Value Units Method Reference Comment
Δr100.4 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Δr89.1 ± 5.4kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Δr77.40kJ/molN/ADresch, Kramer, et al., 1991gas phase; Both dissociation and electron detachment?; B
Δr76.57kJ/molN/ASnodgrass, Coe, et al., 1988gas phase; Appears to be dissociation + electron detachment; B
Quantity Value Units Method Reference Comment
Δr141.J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr58.2 ± 1.7kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B
Δr43.5 ± 9.2kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B

Nitrogen oxide anion + Sulfur dioxide = (Nitrogen oxide anion • Sulfur dioxide)

By formula: NO2- + O2S = (NO2- • O2S)

Quantity Value Units Method Reference Comment
Δr108.4 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Δr102. ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980; B,M
Quantity Value Units Method Reference Comment
Δr154.J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Δr132.J/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(NO2-)H2O, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M
Quantity Value Units Method Reference Comment
Δr62.3 ± 1.3kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B

CO3- + Sulfur dioxide = (CO3- • Sulfur dioxide)

By formula: CO3- + O2S = (CO3- • O2S)

Quantity Value Units Method Reference Comment
Δr59.kJ/molHPMSKeesee, Lee, et al., 1980gas phase; switching reaction(O-)CO2, Entropy change calculated or estimated; Fehsenfeld and Ferguson, 1974; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/AKeesee, Lee, et al., 1980gas phase; switching reaction(O-)CO2, Entropy change calculated or estimated; Fehsenfeld and Ferguson, 1974; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
33.296.HPMSKeesee, Lee, et al., 1980gas phase; switching reaction(O-)CO2, Entropy change calculated or estimated; Fehsenfeld and Ferguson, 1974; M

(Chlorine anion • Sulfur dioxide) + Water = (Chlorine anion • Water • Sulfur dioxide)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr43.51kJ/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr81.2J/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr19.2kJ/molTDAsUpschulte, Schelling, et al., 1984gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
23.296.FAFehsenfeld and Ferguson, 1974gas phase; From thermochemical cycle,switching reaction(H2O/SO2); M

(Chlorine anion • Sulfur dioxide) + Sulfur dioxide = (Chlorine anion • 2Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr51.5 ± 4.2kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Δr51.5kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr84.5J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Δr95.0J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr23. ± 9.2kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B

(Nitrogen oxide anion • Sulfur dioxide) + Sulfur dioxide = (Nitrogen oxide anion • 2Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr37.7 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Δr41.kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr90.0J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; M
Δr70.3J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr16.7 ± 1.7kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B

(Sodium ion (1+) • 3Sulfur dioxide) + Sulfur dioxide = (Sodium ion (1+) • 4Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr51.5kJ/molHPMSCastleman, Peterson, et al., 1983gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KN/ACastleman, Peterson, et al., 1983gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.328.HPMSCastleman, Peterson, et al., 1983gas phase; Entropy change calculated or estimated; M

(Bromine anion • Sulfur dioxide) + Hydrogen bromide = (Bromine anion • Hydrogen bromide • Sulfur dioxide)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr51.0kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M
Quantity Value Units Method Reference Comment
Δr80.3J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M

(Chlorine anion • Sulfur dioxide • Water) + Sulfur dioxide = (Chlorine anion • 2Sulfur dioxide • Water)

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

Quantity Value Units Method Reference Comment
Δr49.4kJ/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
Δr109.J/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
17.296.HPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M

Sodium ion (1+) + Sulfur dioxide = (Sodium ion (1+) • Sulfur dioxide)

By formula: Na+ + O2S = (Na+ • O2S)

Quantity Value Units Method Reference Comment
Δr79.1kJ/molFAPerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.9J/mol*KN/APerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr53.6kJ/molFAPerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M

(Bromine anion • Sulfur dioxide) + Hydrogen chloride = (Bromine anion • Hydrogen chloride • Sulfur dioxide)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr93.7kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M
Quantity Value Units Method Reference Comment
Δr77.8J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M

(Chlorine anion • 2Water) + Sulfur dioxide = (Chlorine anion • Sulfur dioxide • 2Water)

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

Quantity Value Units Method Reference Comment
Δr59.0kJ/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
Δr81.2J/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
35.296.HPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M

(O2S- • Sulfur dioxide) + Sulfur dioxide = (O2S- • 2Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr33.9 ± 1.3kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Δr35.kJ/molHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr66.9J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr16.3 ± 0.84kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

(Chlorine anion • Water • Sulfur dioxide) + Water = (Chlorine anion • 2Water • Sulfur dioxide)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr38.9kJ/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr82.4J/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr14.2kJ/molTDAsUpschulte, Schelling, et al., 1984gas phase; B

(Chlorine anion • 2Sulfur dioxide) + Water = (Chlorine anion • Water • 2Sulfur dioxide)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr41.4kJ/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr95.0J/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr13.0kJ/molTDAsUpschulte, Schelling, et al., 1984gas phase; B

(Nitrogen oxide anion • 2Sulfur dioxide) + Sulfur dioxide = (Nitrogen oxide anion • 3Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr27.6 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr56.1J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr10.9 ± 3.3kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B

(Chlorine anion • Sulfur dioxide) + Hydrogen chloride = (Chlorine anion • Hydrogen chloride • Sulfur dioxide)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr58.2kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
Δr80.3J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle; M

(Chlorine anion • Water) + Sulfur dioxide = (Chlorine anion • Sulfur dioxide • Water)

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

Quantity Value Units Method Reference Comment
Δr72.8kJ/molHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr84.5J/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
48.1296.HPMSFehsenfeld and Ferguson, 1974gas phase; switching reaction(Cl- H2O)H2O; M

HO2S+ + Sulfur dioxide = (HO2S+ • Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr89.1kJ/molPHPMSSzulejko and McMahon, 1992gas phase; M
Δr97.1kJ/molPHPMSMcMahon and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr108.J/mol*KPHPMSSzulejko and McMahon, 1992gas phase; M
Δr115.J/mol*KPHPMSMcMahon and Kebarle, 1986gas phase; M

(Chlorine anion • 2Sulfur dioxide) + Sulfur dioxide = (Chlorine anion • 3Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr41.84 ± 0.42kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr96.7J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr13.0 ± 1.3kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B

(Iodide • 2Sulfur dioxide) + Sulfur dioxide = (Iodide • 3Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr38.5 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr103.J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr7.5 ± 2.5kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B

(Iodide • Sulfur dioxide) + Sulfur dioxide = (Iodide • 2Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr42.26 ± 0.42kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr90.4J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr15.1 ± 1.3kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B

(Chlorine anion • 3Sulfur dioxide) + Sulfur dioxide = (Chlorine anion • 4Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr36.0 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr97.1J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr6.7 ± 4.2kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B

(Iodide • Sulfur dioxide) + Water = (Iodide • Water • Sulfur dioxide)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.6 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

HO- + Sulfur dioxide = (HO- • Sulfur dioxide)

By formula: HO- + O2S = (HO- • O2S)

Quantity Value Units Method Reference Comment
Δr259. ± 12.kJ/molCIDTSquires, 1992gas phase; Dissociative protonation between HCl, MeCHClCO2H; B
Δr>213. ± 13.kJ/molIMRBHierl and Paulson, 1984gas phase; CO2..HO- + SO2 ->. data revised per 92SQU; B

Bromine anion + Sulfur dioxide = (Bromine anion • Sulfur dioxide)

By formula: Br- + O2S = (Br- • O2S)

Quantity Value Units Method Reference Comment
Δr80.8 ± 8.4kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr92.0J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr53. ± 11.kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B

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

By formula: CN- + O2S = (CN- • O2S)

Quantity Value Units Method Reference Comment
Δr90.8 ± 3.3kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr120.J/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr56.07 ± 0.84kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B

Cesium ion (1+) + Sulfur dioxide = (Cesium ion (1+) • Sulfur dioxide)

By formula: Cs+ + O2S = (Cs+ • O2S)

Quantity Value Units Method Reference Comment
Δr45.2kJ/molDTMcKnight and Sawina, 1972gas phase; M
Quantity Value Units Method Reference Comment
Δr79.1J/mol*KDTMcKnight and Sawina, 1972gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
22.300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

(Nitrogen oxide anion • Sulfur dioxide) + Nitric acid, ethyl ester = (Nitrogen oxide anion • Nitric acid, ethyl ester • Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr31.kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr43.5J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M

(NH4+ • 2Water • Sulfur dioxide) + Water = (NH4+ • 3Water • Sulfur dioxide)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr22.kJ/molHPMSBanic and Iribarne, 1985gas phase; From thermochemical cycle,switching reaction, electric fields; M

(NO3 anion • Sulfur dioxide) + Sulfur dioxide = (NO3 anion • 2Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr37.kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr59.0J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M

(NH4+ • Water • Sulfur dioxide) + Water = (NH4+ • 2Water • Sulfur dioxide)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr31.kJ/molHPMSBanic and Iribarne, 1985gas phase; From thermochemical cycle,switching reaction, electric fields; M

(O2S- • 2Water • 3Sulfur dioxide) + Water = (O2S- • 3Water • 3Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr27.6 ± 1.3kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr12.6 ± 0.84kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O2S- • 2Water • 4Sulfur dioxide) + Water = (O2S- • 3Water • 4Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr29.7 ± 2.9kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr10.9 ± 0.84kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O2S- • 5Sulfur dioxide • 2Water) + Sulfur dioxide = (O2S- • 6Sulfur dioxide • 2Water)

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

Quantity Value Units Method Reference Comment
Δr15.9 ± 3.8kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr4.60 ± 0.84kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O2S- • 6Sulfur dioxide • 2Water) + Sulfur dioxide = (O2S- • 7Sulfur dioxide • 2Water)

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

Quantity Value Units Method Reference Comment
Δr15.5 ± 2.9kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr2.5 ± 0.84kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O2S- • Water • 3Sulfur dioxide) + Water = (O2S- • 2Water • 3Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr29.7 ± 1.7kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr15.9 ± 0.84kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B

(O2S- • Water • 4Sulfur dioxide) + Water = (O2S- • 2Water • 4Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr29.7 ± 2.9kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr12.6 ± 0.84kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B

(Hydronium cation • 4Water) + Sulfur dioxide = (Hydronium cation • Sulfur dioxide • 4Water)

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

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
11.300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M
11.300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

(O2S- • 6Sulfur dioxide • Water) + Sulfur dioxide = (O2S- • 7Sulfur dioxide • Water)

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

Quantity Value Units Method Reference Comment
Δr13.4 ± 2.5kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr2.9 ± 0.84kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B

(NO3 anion • Sulfur dioxide) + Water = (NO3 anion • Water • Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr18.0 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
18.299.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

(Iodide • Water) + Sulfur dioxide = (Iodide • Sulfur dioxide • Water)

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

Quantity Value Units Method Reference Comment
Δr37.7 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
30.300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

(O2S- • 2Sulfur dioxide • Oxygen) + Sulfur dioxide = (O2S- • 3Sulfur dioxide • Oxygen)

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

Quantity Value Units Method Reference Comment
Δr15.1 ± 1.7kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr6. ± 13.kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

(O2S- • Sulfur dioxide • Oxygen) + Sulfur dioxide = (O2S- • 2Sulfur dioxide • Oxygen)

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

Quantity Value Units Method Reference Comment
Δr19.2 ± 1.7kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr10. ± 8.4kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

(O3S- • Sulfur dioxide • Oxygen) + Sulfur dioxide = (O3S- • 2Sulfur dioxide • Oxygen)

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

Quantity Value Units Method Reference Comment
Δr23.8 ± 2.5kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr15. ± 8.8kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

Methyl cation + Sulfur dioxide = (Methyl cation • Sulfur dioxide)

By formula: CH3+ + O2S = (CH3+ • O2S)

Quantity Value Units Method Reference Comment
Δr254.kJ/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/mol; Foster, Williamson, et al., 1974; M

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)

Quantity Value Units Method Reference Comment
IE (evaluated)12.349 ± 0.001eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)672.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity643.3kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
1.1070 ± 0.0080LPESNimlos and Ellison, 1986B
1.097 ± 0.036LPESCelotta, Bennett, et al., 1974B
1.10 ± 0.10TDEqChowdhury, Heinis, et al., 1986ΔGea(423 K) = -26.1 kcal/mol; ΔSea (estimated) = +2.0 eu. Original: Caldwell and Kebarle, 19842. Not direct measurement, but anchor for extensiveEA equilibrium scale. See text.; B
1.10 ± 0.20IMRBGrabowski, VanDoren, et al., 1984B
1.04998EndoRefaey and Franklin, 1976B
1.00 ± 0.10EndoHughes, Lifschitz, et al., 1973B
1.00 ± 0.050PDFeldman, 1970B
1.06 ± 0.10IMRBKraus, Muller-Duysing, et al., 1961Between NH2-, C-; B
1.14 ± 0.15NBIERothe, Tang, et al., 1975B

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
<622.Milligan, Fairley, et al., 1998Irreversible PT from SO2H+ to C2N2 shows GB(SO2) < GB(C2N2), and using GB(C2N2) for reference from this paper; MM
<607.Milligan, Fairley, et al., 1998Irreversible PT from SO2H+ to C2H2 shows GB(SO2) < (GB(C2H2) + 4.5 kcal/mol); MM

Ionization energy determinations

IE (eV) Method Reference Comment
12.5 ± 0.1EISnow and Thomas, 1990LL
12.3494 ± 0.0002PEWang, Lee, et al., 1987LBLHLM
12.5 ± 0.3EIOrient and Srivastava, 1984LBLHLM
12.4 ± 0.2EISmith and Stevenson, 1981LLK
12.3PELloyd and Roberts, 1973LLK
12.31PEBock, Solouki, et al., 1973LLK
12.30 ± 0.01PEEland and Danby, 1968RDSH
12.32 ± 0.01PIDibeler and Liston, 1968RDSH
12.34SGolomb, Watanabe, et al., 1962RDSH
12.34 ± 0.02PIWatanabe, 1957RDSH
12.50PEKimura, Katsumata, et al., 1981Vertical value; LLK
12.54PEKroner, Strack, et al., 1973Vertical value; LLK
12.50PEChadwick, Frost, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
O+23.5 ± 0.5SOEIOrient and Srivastava, 1984LBLHLM
O+20.6SOEIReese, Dibeter, et al., 1958RDSH
OS+16.5 ± 0.5OEIOrient and Srivastava, 1984LBLHLM
OS+16.2 ± 0.2OEISmith and Stevenson, 1981LLK
OS+15.930 ± 0.005OPEWeiss, Hsieh, et al., 1979LLK
SO+15.81 ± 0.02OPIDibeler and Liston, 1968RDSH
O2+17.5 ± 0.3SEIReese, Dibeter, et al., 1958RDSH
S+16.5 ± 0.5O2/2OEIOrient and Srivastava, 1984LBLHLM
S+22.2OEISmith and Stevenson, 1981LLK
S+16.334O2/2OPEWeiss, Hsieh, et al., 1979LLK
S+17.5 ± 0.3O2EIReese, Dibeter, et al., 1958RDSH

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.

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Lee, Keesee, et al., 1980
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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]

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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]

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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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Caldwell, G.; Kebarle, P., Binding energies and structural effects in halide anion-ROH and -RCOOH complexes from gas phase equilibria measurements, J. Am. Chem. Soc., 1984, 106, 967. [all data]

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Grabowski, J.J.; VanDoren, J.M.; DePuy, C.H.; Bierbaum, V.M., Flowing Afterglow Studies of the Electron Affinity of SO2, J. Chem. Phys., 1984, 80, 1, 575, https://doi.org/10.1063/1.446412 . [all data]

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Refaey, K.M.A.; Franklin, J.L., Endoergic ion-molecule-collision processes of negative ions. I. Collision of I- on SO2, J. Chem. Phys., 1976, 65, 1994. [all data]

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Notes

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