Sulfur dioxide

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, 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
ΔfH°gas-296.81 ± 0.20kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
ΔfH°gas-296.84kJ/molReviewChase, 1998Data last reviewed in June, 1961
Quantity Value Units Method Reference Comment
S°gas,1 bar248.223 ± 0.050J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
S°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, Ion clustering data, Gas Chromatography, 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
ΔrH°92.9 ± 8.4kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
ΔrH°87.4 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B
ΔrH°92.9 ± 9.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M
ΔrH°91.21 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
ΔrH°87.4kJ/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
ΔrS°90.4J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
ΔrS°101.J/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(Cl-)H2O), Entropy change calculated or estimated; Keesee and Castleman, 1980; M
ΔrS°87.0J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
ΔrS°97.1J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°65.7 ± 8.4kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B
ΔrG°61.5 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B
ΔrG°62.8 ± 6.7kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M
ΔrG°61.9 ± 1.3kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B
ΔrG°61.5kJ/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
ΔrH°225. ± 9.2kJ/molCIDTLobring, Check, et al., 2003gas phase; B
ΔrH°222. ± 10.kJ/molCIDTSquires, 1992gas phase; B
ΔrH°183.kJ/molICRLarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
ΔrH°183. ± 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
ΔrH°250.kJ/molSAMSRobbiani and Franklin, 1979gas phase; Cl- + CO2ClF --> SO2F- + Cl2, ΔrH>; M
Quantity Value Units Method Reference Comment
ΔrS°100.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
ΔrS°96.2J/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
ΔrG°153.kJ/molICRLarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
ΔrG°154. ± 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
ΔrH°72.0 ± 8.4kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M
ΔrH°76.1 ± 5.0kJ/molTDAsWlodek, Luczynski, et al., 1983gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°105.J/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M
ΔrS°132.J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°40. ± 8.4kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M
ΔrG°41.84 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B
ΔrG°36.8 ± 3.8kJ/molTDAsWlodek, Luczynski, et al., 1983gas phase; B
ΔrG°44.4kJ/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
ΔrH°59.8 ± 8.4kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
ΔrH°53.97 ± 0.42kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°73.6J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
ΔrS°84.5J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°38. ± 11.kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B
ΔrG°7.11 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B
ΔrG°28.5 ± 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
ΔrH°100.4 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
ΔrH°89.1 ± 5.4kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
ΔrH°77.40kJ/molN/ADresch, Kramer, et al., 1991gas phase; Both dissociation and electron detachment?; B
ΔrH°76.57kJ/molN/ASnodgrass, Coe, et al., 1988gas phase; Appears to be dissociation + electron detachment; B
Quantity Value Units Method Reference Comment
ΔrS°141.J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°58.2 ± 1.7kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B
ΔrG°43.5 ± 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
ΔrH°108.4 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
ΔrH°102. ± 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
ΔrS°154.J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
ΔrS°132.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
ΔrG°62.3 ± 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
ΔrH°59.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
ΔrS°84.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
ΔrH°43.51kJ/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°81.2J/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°19.2kJ/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
ΔrH°51.5 ± 4.2kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
ΔrH°51.5kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°84.5J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
ΔrS°95.0J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°23. ± 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
ΔrH°37.7 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
ΔrH°41.kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°90.0J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; M
ΔrS°70.3J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°16.7 ± 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
ΔrH°51.5kJ/molHPMSCastleman, Peterson, et al., 1983gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°110.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
ΔrH°51.0kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M
Quantity Value Units Method Reference Comment
ΔrS°80.3J/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
ΔrH°49.4kJ/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
ΔrS°109.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
ΔrH°79.1kJ/molFAPerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°84.9J/mol*KN/APerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°53.6kJ/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
ΔrH°93.7kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M
Quantity Value Units Method Reference Comment
ΔrS°77.8J/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
ΔrH°59.0kJ/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
ΔrS°81.2J/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
ΔrH°33.9 ± 1.3kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
ΔrH°35.kJ/molHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°66.9J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°16.3 ± 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
ΔrH°38.9kJ/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°82.4J/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°14.2kJ/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
ΔrH°41.4kJ/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°95.0J/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°13.0kJ/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
ΔrH°27.6 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°56.1J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrG°10.9 ± 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
ΔrH°58.2kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
ΔrS°80.3J/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
ΔrH°72.8kJ/molHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°84.5J/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
ΔrH°89.1kJ/molPHPMSSzulejko and McMahon, 1992gas phase; M
ΔrH°97.1kJ/molPHPMSMcMahon and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°108.J/mol*KPHPMSSzulejko and McMahon, 1992gas phase; M
ΔrS°115.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
ΔrH°41.84 ± 0.42kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.7J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°13.0 ± 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
ΔrH°38.5 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°103.J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°7.5 ± 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
ΔrH°42.26 ± 0.42kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°90.4J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°15.1 ± 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
ΔrH°36.0 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°97.1J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°6.7 ± 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
ΔrG°14.6 ± 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
ΔrH°259. ± 12.kJ/molCIDTSquires, 1992gas phase; Dissociative protonation between HCl, MeCHClCO2H; B
ΔrH°>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
ΔrH°80.8 ± 8.4kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.0J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°53. ± 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
ΔrH°90.8 ± 3.3kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°120.J/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°56.07 ± 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
ΔrH°45.2kJ/molDTMcKnight and Sawina, 1972gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°79.1J/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
ΔrH°31.kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrS°43.5J/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
ΔrG°22.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
ΔrH°37.kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrS°59.0J/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
ΔrG°31.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
ΔrH°27.6 ± 1.3kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°12.6 ± 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
ΔrH°29.7 ± 2.9kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°10.9 ± 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
ΔrH°15.9 ± 3.8kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°4.60 ± 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
ΔrH°15.5 ± 2.9kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°2.5 ± 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
ΔrH°29.7 ± 1.7kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°15.9 ± 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
ΔrH°29.7 ± 2.9kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°12.6 ± 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
ΔrH°13.4 ± 2.5kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°2.9 ± 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
ΔrG°18.0 ± 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
ΔrG°37.7 ± 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
ΔrH°15.1 ± 1.7kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°6. ± 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
ΔrH°19.2 ± 1.7kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°10. ± 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
ΔrH°23.8 ± 2.5kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°15. ± 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
ΔrH°254.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, Ion clustering data, Gas Chromatography, 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

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, 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:
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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

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

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

Quantity Value Units Method Reference Comment
ΔrH°45.6kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°79.1J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°50.6kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°77.8J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M

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

By formula: Br- + O2S = (Br- • O2S)

Quantity Value Units Method Reference Comment
ΔrH°80.8 ± 8.4kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.0J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°53. ± 11.kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°46.9kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°78.2J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°36.kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°57.7J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M

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

By formula: CH3+ + O2S = (CH3+ • O2S)

Quantity Value Units Method Reference Comment
ΔrH°254.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

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

By formula: CN- + O2S = (CN- • O2S)

Quantity Value Units Method Reference Comment
ΔrH°90.8 ± 3.3kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°120.J/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°56.07 ± 0.84kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B

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

By formula: CO3- + O2S = (CO3- • O2S)

Quantity Value Units Method Reference Comment
ΔrH°59.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
ΔrS°84.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

C4H6+ + Sulfur dioxide = (C4H6+ • Sulfur dioxide)

By formula: C4H6+ + O2S = (C4H6+ • O2S)

Quantity Value Units Method Reference Comment
ΔrH°15.kJ/molPIGrover, Walters, et al., 1985gas phase; M

C4H8+ + Sulfur dioxide = (C4H8+ • Sulfur dioxide)

By formula: C4H8+ + O2S = (C4H8+ • O2S)

Quantity Value Units Method Reference Comment
ΔrH°10.kJ/molPIGrover, Walters, et al., 1985gas phase; M

C4H8+ + Sulfur dioxide = (C4H8+ • Sulfur dioxide)

By formula: C4H8+ + O2S = (C4H8+ • O2S)

Quantity Value Units Method Reference Comment
ΔrH°10.kJ/molPIGrover, Walters, et al., 1985gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°51.5kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°77.4J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; 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
ΔrH°72.8kJ/molHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°84.5J/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

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

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

Quantity Value Units Method Reference Comment
ΔrH°59.0kJ/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
ΔrS°81.2J/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

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

By formula: Cl- + O2S = (Cl- • O2S)

Quantity Value Units Method Reference Comment
ΔrH°92.9 ± 8.4kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
ΔrH°87.4 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B
ΔrH°92.9 ± 9.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M
ΔrH°91.21 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
ΔrH°87.4kJ/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
ΔrS°90.4J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
ΔrS°101.J/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(Cl-)H2O), Entropy change calculated or estimated; Keesee and Castleman, 1980; M
ΔrS°87.0J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
ΔrS°97.1J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°65.7 ± 8.4kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B
ΔrG°61.5 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B
ΔrG°62.8 ± 6.7kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M
ΔrG°61.9 ± 1.3kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B
ΔrG°61.5kJ/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

(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
ΔrH°49.4kJ/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
ΔrS°109.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

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

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

Quantity Value Units Method Reference Comment
ΔrH°51.5 ± 4.2kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
ΔrH°51.5kJ/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°84.5J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
ΔrS°95.0J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°23. ± 9.2kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°41.84 ± 0.42kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.7J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°13.0 ± 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
ΔrH°36.0 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°97.1J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°6.7 ± 4.2kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B

ClO4- + Sulfur dioxide = (ClO4- • Sulfur dioxide)

By formula: ClO4- + O2S = (ClO4- • O2S)

Quantity Value Units Method Reference Comment
ΔrG°23.8 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

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

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

By formula: (Cs+ • H2O) + O2S = (Cs+ • O2S • H2O)

Free energy of reaction

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

(Cesium ion (1+) • 2Water) + Sulfur dioxide = (Cesium ion (1+) • Sulfur dioxide • 2Water)

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

Free energy of reaction

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

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

By formula: Cs+ + O2S = (Cs+ • O2S)

Quantity Value Units Method Reference Comment
ΔrH°45.2kJ/molDTMcKnight and Sawina, 1972gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°79.1J/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

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

By formula: F- + O2S = (F- • O2S)

Quantity Value Units Method Reference Comment
ΔrH°225. ± 9.2kJ/molCIDTLobring, Check, et al., 2003gas phase; B
ΔrH°222. ± 10.kJ/molCIDTSquires, 1992gas phase; B
ΔrH°183.kJ/molICRLarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
ΔrH°183. ± 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
ΔrH°250.kJ/molSAMSRobbiani and Franklin, 1979gas phase; Cl- + CO2ClF --> SO2F- + Cl2, ΔrH>; M
Quantity Value Units Method Reference Comment
ΔrS°100.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
ΔrS°96.2J/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
ΔrG°153.kJ/molICRLarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
ΔrG°154. ± 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

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

By formula: H- + O2S = (H- • O2S)

Quantity Value Units Method Reference Comment
ΔrH°260. ± 67.kJ/molIMRBSheldon, Currie, et al., 1985gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°240. ± 67.kJ/molIMRBSheldon, Currie, et al., 1985gas phase; B

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

By formula: HO- + O2S = (HO- • O2S)

Quantity Value Units Method Reference Comment
ΔrH°259. ± 12.kJ/molCIDTSquires, 1992gas phase; Dissociative protonation between HCl, MeCHClCO2H; B
ΔrH°>213. ± 13.kJ/molIMRBHierl and Paulson, 1984gas phase; CO2..HO- + SO2 ->. data revised per 92SQU; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°89.1kJ/molPHPMSSzulejko and McMahon, 1992gas phase; M
ΔrH°97.1kJ/molPHPMSMcMahon and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°108.J/mol*KPHPMSSzulejko and McMahon, 1992gas phase; M
ΔrS°115.J/mol*KPHPMSMcMahon and Kebarle, 1986gas phase; M

HO4S- + Sulfur dioxide = (HO4S- • Sulfur dioxide)

By formula: HO4S- + O2S = (HO4S- • O2S)

Quantity Value Units Method Reference Comment
ΔrH°57.3kJ/molHPMSKeesee and Castleman, 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°109.J/mol*KHPMSKeesee and Castleman, 1986gas phase; M

(Hydronium cation • 3Water) + Sulfur dioxide = (Hydronium cation • Sulfur dioxide • 3Water)

By formula: (H3O+ • 3H2O) + O2S = (H3O+ • O2S • 3H2O)

Free energy of reaction

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

(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

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

By formula: H3O+ + O2S = (H3O+ • O2S)

Quantity Value Units Method Reference Comment
ΔrH°92.0kJ/molPHPMSSzulejko and McMahon, 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°95.0J/mol*KPHPMSSzulejko and McMahon, 1992gas phase; M

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

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

Free energy of reaction

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

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

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

Free energy of reaction

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

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

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

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.300.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
ΔrG°37.7 ± 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

Iodide + Sulfur dioxide = (Iodide • Sulfur dioxide)

By formula: I- + O2S = (I- • O2S)

Quantity Value Units Method Reference Comment
ΔrH°59.8 ± 8.4kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
ΔrH°53.97 ± 0.42kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°73.6J/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
ΔrS°84.5J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°38. ± 11.kJ/molTDAsCaldwell and Kebarle, 1985gas phase; B
ΔrG°7.11 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B
ΔrG°28.5 ± 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

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

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

Quantity Value Units Method Reference Comment
ΔrG°29.7 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°42.26 ± 0.42kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°90.4J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°15.1 ± 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
ΔrH°38.5 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°103.J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°7.5 ± 2.5kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B

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

By formula: NO- + O2S = (NO- • O2S)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
33.296.SAMSVanderhoff and Heimerl, 1977gas phase; switching reaction(NO+)NO; Puckett and Teague, 1971; M

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

By formula: NO2- + O2S = (NO2- • O2S)

Quantity Value Units Method Reference Comment
ΔrH°108.4 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
ΔrH°102. ± 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
ΔrS°154.J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
ΔrS°132.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
ΔrG°62.3 ± 1.3kJ/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
ΔrH°37.7 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
ΔrH°41.kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°90.0J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; M
ΔrS°70.3J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°16.7 ± 1.7kJ/molTDAsKeesee, Lee, et al., 1980gas 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
ΔrH°27.6 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°56.1J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrG°10.9 ± 3.3kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrG°30.kJ/molHPMSBanic and Iribarne, 1985gas phase; From thermochemical cycle,switching reaction, electric fields; M

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

By formula: NO3- + O2S = (NO3- • O2S)

Quantity Value Units Method Reference Comment
ΔrH°72.0 ± 8.4kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M
ΔrH°76.1 ± 5.0kJ/molTDAsWlodek, Luczynski, et al., 1983gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°105.J/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M
ΔrS°132.J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°40. ± 8.4kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M
ΔrG°41.84 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B
ΔrG°36.8 ± 3.8kJ/molTDAsWlodek, Luczynski, et al., 1983gas phase; B
ΔrG°44.4kJ/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

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

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

Quantity Value Units Method Reference Comment
ΔrH°37.kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrS°59.0J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M

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

By formula: (Na+ • H2O) + O2S = (Na+ • O2S • H2O)

Quantity Value Units Method Reference Comment
ΔrH°59.0kJ/molHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°72.8J/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M

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

By formula: (Na+ • 3H2O) + O2S = (Na+ • O2S • 3H2O)

Quantity Value Units Method Reference Comment
ΔrG°20.kJ/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

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

By formula: Na+ + O2S = (Na+ • O2S)

Quantity Value Units Method Reference Comment
ΔrH°79.1kJ/molFAPerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°84.9J/mol*KN/APerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°53.6kJ/molFAPerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M

(Sodium ion (1+) • Sulfur dioxide) + Sulfur dioxide = (Sodium ion (1+) • 2Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
ΔrH°69.5kJ/molHPMSCastleman, Peterson, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°107.J/mol*KHPMSCastleman, Peterson, et al., 1983gas phase; M

(Sodium ion (1+) • 2Sulfur dioxide) + Sulfur dioxide = (Sodium ion (1+) • 3Sulfur dioxide)

By formula: (Na+ • 2O2S) + O2S = (Na+ • 3O2S)

Quantity Value Units Method Reference Comment
ΔrH°59.8kJ/molHPMSCastleman, Peterson, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°113.J/mol*KHPMSCastleman, Peterson, et al., 1983gas phase; M

(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
ΔrH°51.5kJ/molHPMSCastleman, Peterson, et al., 1983gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°110.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

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

By formula: O- + O2S = (O- • O2S)

Quantity Value Units Method Reference Comment
ΔrH°250.kJ/molFAFehsenfeld and Ferguson, 1974gas phase; switching reaction(O-)CO2, ΔrH>; Hiller and Vestal, 1980, Keesee and Castleman, 1986; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°55.6kJ/molHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°79.1J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M

OS+ + Sulfur dioxide = (OS+ • Sulfur dioxide)

By formula: OS+ + O2S = (OS+ • O2S)

Quantity Value Units Method Reference Comment
ΔrH°57.7kJ/molPIErickson and Ng, 1981gas phase; M

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

By formula: O2+ + O2S = (O2+ • O2S)

Quantity Value Units Method Reference Comment
ΔrG°40.kJ/molFAAdams and Bohme, 1970gas phase; switching reaction(O2+)O2; Conway and Janik, 1970; M

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

By formula: O2S+ + O2S = (O2S+ • O2S)

Quantity Value Units Method Reference Comment
ΔrH°63.6kJ/molPIErickson and Ng, 1981gas phase; M

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

By formula: O2S- + O2S = (O2S- • O2S)

Quantity Value Units Method Reference Comment
ΔrH°100.4 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
ΔrH°89.1 ± 5.4kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
ΔrH°77.40kJ/molN/ADresch, Kramer, et al., 1991gas phase; Both dissociation and electron detachment?; B
ΔrH°76.57kJ/molN/ASnodgrass, Coe, et al., 1988gas phase; Appears to be dissociation + electron detachment; B
Quantity Value Units Method Reference Comment
ΔrS°141.J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°58.2 ± 1.7kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B
ΔrG°43.5 ± 9.2kJ/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
ΔrH°15.9 ± 3.8kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°4.60 ± 0.84kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B

(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
ΔrH°13.4 ± 2.5kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°2.9 ± 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
ΔrH°15.5 ± 2.9kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°2.5 ± 0.84kJ/molTDAsVacher, Leduc, et al., 1994gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°33.9 ± 1.3kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
ΔrH°35.kJ/molHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°66.9J/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°16.3 ± 0.84kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°26.8 ± 0.84kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°12.6 ± 0.84kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°22.6 ± 1.3kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°9.20 ± 0.84kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

(O2S- • 4Sulfur dioxide) + Sulfur dioxide = (O2S- • 5Sulfur dioxide)

By formula: (O2S- • 4O2S) + O2S = (O2S- • 5O2S)

Quantity Value Units Method Reference Comment
ΔrH°17.6 ± 0.84kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°5.02 ± 0.84kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°15.1 ± 1.3kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°3.8 ± 0.84kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°14.2 ± 0.84kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°2.1 ± 0.84kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

(O2S- • 7Sulfur dioxide) + Sulfur dioxide = (O2S- • 8Sulfur dioxide)

By formula: (O2S- • 7O2S) + O2S = (O2S- • 8O2S)

Quantity Value Units Method Reference Comment
ΔrH°14.2 ± 1.3kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°1. ± 5.0kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

(O2S- • 8Sulfur dioxide) + Sulfur dioxide = (O2S- • 9Sulfur dioxide)

By formula: (O2S- • 8O2S) + O2S = (O2S- • 9O2S)

Quantity Value Units Method Reference Comment
ΔrH°12.6 ± 1.7kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°1. ± 6.3kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

(O2S- • 9Sulfur dioxide) + Sulfur dioxide = (O2S- • 10Sulfur dioxide)

By formula: (O2S- • 9O2S) + O2S = (O2S- • 10O2S)

Quantity Value Units Method Reference Comment
ΔrH°12.6 ± 2.5kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°0.4 ± 9.6kJ/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
ΔrH°19.2 ± 1.7kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°10. ± 8.4kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

(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
ΔrH°15.1 ± 1.7kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°6. ± 13.kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°46.0 ± 4.2kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°26. ± 9.2kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

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

By formula: O3S- + O2S = (O3S- • O2S)

Quantity Value Units Method Reference Comment
ΔrH°55.65 ± 0.42kJ/molTDAsKeesee, Lee, et al., 1980gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°31.8 ± 0.84kJ/molTDAsKeesee, Lee, et al., 1980gas 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
ΔrH°23.8 ± 2.5kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°15. ± 8.8kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°27.2 ± 3.3kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°18. ± 9.2kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

O4S- + Sulfur dioxide = (O4S- • Sulfur dioxide)

By formula: O4S- + O2S = (O4S- • O2S)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.296.FAFehsenfeld and Ferguson, 1974gas phase; switching reaction(SO4-)H2O; M

Gas Chromatography

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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB856.Mahadevan and Farmer, 200660. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax882.Chyau and Mau, 199960. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 40. C; Tend: 210. C

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, 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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Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr., Thermochemical data on Ggs-phase ion-molecule association and clustering reactions, J. Phys. Chem. Ref. Data, 1986, 15, 1011. [all data]

Vanderhoff and Heimerl, 1977
Vanderhoff, J.A.; Heimerl, J.M., The Equilibrium Constant for NO+(NO) ---> NO+(SO2) and the Rate Coefficient of SO2 Clustering to NO+, at 296 K, J. Chem. Phys., 1977, 66, 8, 3838, https://doi.org/10.1063/1.434380 . [all data]

Puckett and Teague, 1971
Puckett, L.J.; Teague, M.W., Ion-Molecule Reactions in NO - NH3 Gas Mixtures, J. Chem. Phys., 1971, 54, 11, 4860, https://doi.org/10.1063/1.1674763 . [all data]

Hiller and Vestal, 1980
Hiller, J.F.; Vestal, M.L., Tandem quadrupole study of laser photodissociation of CO3-, J. Chem. Phys., 1980, 72, 4713. [all data]

Erickson and Ng, 1981
Erickson, J.; Ng, C.Y., Molecular Beam Photoionization Study of SO2 and (SO2)2, J. Chem. Phys., 1981, 75, 4, 1650, https://doi.org/10.1063/1.442242 . [all data]

Adams and Bohme, 1970
Adams, N.G.; Bohme, D., Flowing Afterglow Studies of Formation and Reactions of Cluster Ions of O2+, O2-, and O-, J. Chem. Phys., 1970, 52, 6, 3133, https://doi.org/10.1063/1.1673449 . [all data]

Conway and Janik, 1970
Conway, D.C.; Janik, G.S., Determination of the Bond Energies for the Series O2 - O2+ through O2 - O10+, J. Chem. Phys., 1970, 53, 5, 1859, https://doi.org/10.1063/1.1674262 . [all data]

Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L., Key Odor Impact Compounds in Three Yeast Extract Pastes, J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x . [all data]

Chyau and Mau, 1999
Chyau, C.-C.; Mau, J.-L., Release of volatile compounds from microwave heating of garlic juice with 2,4-decadienals, Food Chem., 1999, 64, 4, 531-535, https://doi.org/10.1016/S0308-8146(98)00162-9 . [all data]

Notes

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