Sulfur dioxide

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Reaction thermochemistry data

Go To: Top, Mass spectrum (electron ionization), References, Notes

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

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. 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°22.2 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
ΔrH°20.9 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B
ΔrH°22.2 ± 2.2kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M
ΔrH°21.80 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
ΔrH°20.9kcal/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°21.6cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
ΔrS°24.1cal/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(Cl-)H2O), Entropy change calculated or estimated; Keesee and Castleman, 1980; M
ΔrS°20.8cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
ΔrS°23.2cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°15.7 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B
ΔrG°14.7 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B
ΔrG°15.0 ± 1.6kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M
ΔrG°14.80 ± 0.30kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B
ΔrG°14.7kcal/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° (kcal/mol) T (K) Method Reference Comment
14.2296.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°53.8 ± 2.2kcal/molCIDTLobring, Check, et al., 2003gas phase; B
ΔrH°53.0 ± 2.5kcal/molCIDTSquires, 1992gas phase; B
ΔrH°43.8kcal/molICRLarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
ΔrH°43.8 ± 2.0kcal/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°59.kcal/molSAMSRobbiani and Franklin, 1979gas phase; Cl- + CO2ClF --> SO2F- + Cl2, ΔrH>; M
Quantity Value Units Method Reference Comment
ΔrS°24.cal/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
ΔrS°23.0cal/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°36.6kcal/molICRLarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
ΔrG°36.9 ± 2.0kcal/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°17.2 ± 2.0kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M
ΔrH°18.2 ± 1.2kcal/molTDAsWlodek, Luczynski, et al., 1983gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°25.2cal/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M
ΔrS°31.6cal/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°9.6 ± 2.0kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M
ΔrG°10.00 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B
ΔrG°8.80 ± 0.90kcal/molTDAsWlodek, Luczynski, et al., 1983gas phase; B
ΔrG°10.6kcal/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° (kcal/mol) T (K) Method Reference Comment
10.0299.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°14.3 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
ΔrH°12.90 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°17.6cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
ΔrS°20.2cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°9.0 ± 2.6kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B
ΔrG°1.70 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B
ΔrG°6.80 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.0301.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°24.00 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
ΔrH°21.3 ± 1.3kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
ΔrH°18.50kcal/molN/ADresch, Kramer, et al., 1991gas phase; Both dissociation and electron detachment?; B
ΔrH°18.30kcal/molN/ASnodgrass, Coe, et al., 1988gas phase; Appears to be dissociation + electron detachment; B
Quantity Value Units Method Reference Comment
ΔrS°33.8cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°13.90 ± 0.40kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B
ΔrG°10.4 ± 2.2kcal/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°25.90 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
ΔrH°24.3 ± 1.0kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980; B,M
Quantity Value Units Method Reference Comment
ΔrS°36.8cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
ΔrS°31.6cal/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°14.90 ± 0.30kcal/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°14.kcal/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°20.cal/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° (kcal/mol) T (K) Method Reference Comment
8.0296.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°10.40kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°19.4cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°4.60kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.5296.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°12.3 ± 1.0kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
ΔrH°12.3kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°20.2cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
ΔrS°22.7cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°5.5 ± 2.2kcal/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°9.00 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
ΔrH°9.8kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°21.5cal/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; M
ΔrS°16.8cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°4.00 ± 0.40kcal/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°12.3kcal/molHPMSCastleman, Peterson, et al., 1983gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°27.cal/mol*KN/ACastleman, Peterson, et al., 1983gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.2328.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°12.2kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M
Quantity Value Units Method Reference Comment
ΔrS°19.2cal/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°11.8kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
ΔrS°26.0cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.1296.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°18.9kcal/molFAPerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°20.3cal/mol*KN/APerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°12.8kcal/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°22.4kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M
Quantity Value Units Method Reference Comment
ΔrS°18.6cal/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°14.1kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
ΔrS°19.4cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.4296.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°8.10 ± 0.30kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
ΔrH°8.3kcal/molHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°16.0cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°3.90 ± 0.20kcal/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°9.30kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°19.7cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°3.40kcal/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°9.90kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°22.7cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°3.10kcal/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°6.60 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°13.4cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrG°2.60 ± 0.80kcal/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°13.9kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
ΔrS°19.2cal/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°17.4kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°20.2cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
11.5296.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°21.3kcal/molPHPMSSzulejko and McMahon, 1992gas phase; M
ΔrH°23.2kcal/molPHPMSMcMahon and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°25.7cal/mol*KPHPMSSzulejko and McMahon, 1992gas phase; M
ΔrS°27.4cal/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°10.00 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°23.1cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°3.10 ± 0.30kcal/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°9.20 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°24.7cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°1.80 ± 0.60kcal/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°10.10 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°21.6cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°3.60 ± 0.30kcal/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°8.60 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°23.2cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°1.6 ± 1.0kcal/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°3.50 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5300.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°61.9 ± 2.8kcal/molCIDTSquires, 1992gas phase; Dissociative protonation between HCl, MeCHClCO2H; B
ΔrH°>50.9 ± 3.0kcal/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°19.3 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°22.0cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°12.7 ± 2.6kcal/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°21.70 ± 0.80kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°28.cal/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°13.40 ± 0.20kcal/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°10.8kcal/molDTMcKnight and Sawina, 1972gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°18.9cal/mol*KDTMcKnight and Sawina, 1972gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.2300.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°7.4kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrS°10.4cal/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°5.2kcal/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°8.8kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrS°14.1cal/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°7.4kcal/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°6.60 ± 0.30kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°3.00 ± 0.20kcal/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°7.10 ± 0.70kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°2.60 ± 0.20kcal/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°3.80 ± 0.90kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°1.10 ± 0.20kcal/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°3.70 ± 0.70kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°0.60 ± 0.20kcal/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°7.10 ± 0.40kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°3.80 ± 0.20kcal/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°7.10 ± 0.70kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°3.00 ± 0.20kcal/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° (kcal/mol) T (K) Method Reference Comment
2.6300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M
2.6300.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°3.20 ± 0.60kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°0.70 ± 0.20kcal/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°4.30 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.3299.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°9.00 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.1300.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°3.60 ± 0.40kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°1.5 ± 3.0kcal/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°4.60 ± 0.40kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°2.5 ± 2.0kcal/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°5.70 ± 0.60kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°3.6 ± 2.1kcal/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°60.6kcal/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M

Mass spectrum (electron ionization)

Go To: Top, 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 compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

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NIST MS number 191

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References

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes

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

Caldwell and Kebarle, 1985
Caldwell, G.; Kebarle, P., The hydrogen bond energies of the bihalide ions XHX- and YHX-, Can. J. Chem., 1985, 63, 1399. [all data]

Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria, J. Am. Chem. Soc., 1985, 107, 766. [all data]

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

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

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

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

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

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

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

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

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

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

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study, J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034 . [all data]

Robbiani and Franklin, 1979
Robbiani, R.; Franklin, J.L., Negative ion-molecule reaction in sulfuryl halides, J. Am. Chem. Soc., 1979, 101, 3709. [all data]

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

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

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

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

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

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

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

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

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

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

Szulejko and McMahon, 1992
Szulejko, J.; McMahon, T.B., personal communication, 1992. [all data]

McMahon and Kebarle, 1986
McMahon, T.B.; Kebarle, P., Strong hydrogen bonding in gas-phase ions: A high pressure mass spectrometric study of formation and energetics of methyl fluoride proton bound dimer, J. Am. Chem. Soc., 1986, 108, 6502. [all data]

Hierl and Paulson, 1984
Hierl, P.M.; Paulson, J.F., Translational energy dependence of cross sections for reactions of OH- (H2O)n with CO2 and SO2, J. Chem. Phys., 1984, 80, 4890. [all data]

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

McKnight and Sawina, 1972
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]

McMahon, Heinis, et al., 1988
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]

Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L., Photoionization mass spectrometry of trans-azomethane, Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [all data]

Notes

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), References