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Sulfur dioxide

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Gas phase thermochemistry data

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.

Quantity Value Units Method Reference Comment
Deltafgas-70.939 ± 0.048kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Deltafgas-70.946kcal/molReviewChase, 1998Data last reviewed in June, 1961
Quantity Value Units Method Reference Comment
gas,1 bar59.327 ± 0.012cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar59.324cal/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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1200.1200. - 6000.
A 5.12201113.73850
B 17.770300.241235
C -13.80310-0.018234
D 3.9090210.001237
E 0.020729-0.966874
F -73.08050-77.53681
G 60.9195072.36611
H -70.94699-70.94699
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, 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 bullet Sulfur dioxide)

By formula: Cl- + O2S = (Cl- bullet O2S)

Quantity Value Units Method Reference Comment
Deltar22.2 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Deltar20.9 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B
Deltar22.2 ± 2.2kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M
Deltar21.80 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Deltar20.9kcal/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
Deltar21.6cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Deltar24.1cal/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(Cl-)H2O), Entropy change calculated or estimated; Keesee and Castleman, 1980; M
Deltar20.8cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Deltar23.2cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar15.7 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B
Deltar14.7 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B
Deltar15.0 ± 1.6kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M
Deltar14.80 ± 0.30kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B
Deltar14.7kcal/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

DeltarG° (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 bullet Sulfur dioxide)

By formula: F- + O2S = (F- bullet O2S)

Quantity Value Units Method Reference Comment
Deltar53.8 ± 2.2kcal/molCIDTLobring, Check, et al., 2003gas phase; B
Deltar53.0 ± 2.5kcal/molCIDTSquires, 1992gas phase; B
Deltar43.8kcal/molICRLarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Deltar43.8 ± 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
Deltar59.kcal/molSAMSRobbiani and Franklin, 1979gas phase; Cl- + CO2ClF --> SO2F- + Cl2, «DELTA»rH>; M
Quantity Value Units Method Reference Comment
Deltar24.cal/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Deltar23.0cal/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
Deltar36.6kcal/molICRLarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Deltar36.9 ± 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 bullet Sulfur dioxide)

By formula: NO3- + O2S = (NO3- bullet O2S)

Quantity Value Units Method Reference Comment
Deltar17.2 ± 2.0kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M
Deltar18.2 ± 1.2kcal/molTDAsWlodek, Luczynski, et al., 1983gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.2cal/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M
Deltar31.6cal/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.6 ± 2.0kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M
Deltar10.00 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B
Deltar8.80 ± 0.90kcal/molTDAsWlodek, Luczynski, et al., 1983gas phase; B
Deltar10.6kcal/molFAFehsenfeld and Ferguson, 1974gas phase; switching reaction(NO3-)SO2, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
10.0299.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

Iodide + Sulfur dioxide = (Iodide bullet Sulfur dioxide)

By formula: I- + O2S = (I- bullet O2S)

Quantity Value Units Method Reference Comment
Deltar14.3 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Deltar12.90 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar17.6cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Deltar20.2cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.0 ± 2.6kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B
Deltar1.70 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B
Deltar6.80 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
9.0301.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

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

By formula: O2S- + O2S = (O2S- bullet O2S)

Quantity Value Units Method Reference Comment
Deltar24.00 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Deltar21.3 ± 1.3kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Deltar18.50kcal/molN/ADresch, Kramer, et al., 1991gas phase; Both dissociation and electron detachment?; B
Deltar18.30kcal/molN/ASnodgrass, Coe, et al., 1988gas phase; Appears to be dissociation + electron detachment; B
Quantity Value Units Method Reference Comment
Deltar33.8cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar13.90 ± 0.40kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B
Deltar10.4 ± 2.2kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

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

By formula: NO2- + O2S = (NO2- bullet O2S)

Quantity Value Units Method Reference Comment
Deltar25.90 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Deltar24.3 ± 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
Deltar36.8cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Deltar31.6cal/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
Deltar14.90 ± 0.30kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B

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

By formula: CO3- + O2S = (CO3- bullet O2S)

Quantity Value Units Method Reference Comment
Deltar14.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
Deltar20.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

DeltarG° (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 bullet Sulfur dioxide) + Water = (Chlorine anion bullet Water bullet Sulfur dioxide)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.40kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.4cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.60kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.5296.FAFehsenfeld and Ferguson, 1974gas phase; From thermochemical cycle,switching reaction(H2O/SO2); M

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

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

Quantity Value Units Method Reference Comment
Deltar12.3 ± 1.0kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Deltar12.3kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar20.2cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Deltar22.7cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.5 ± 2.2kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar9.00 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Deltar9.8kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Deltar21.5cal/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; M
Deltar16.8cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.00 ± 0.40kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar12.3kcal/molHPMSCastleman, Peterson, et al., 1983gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar27.cal/mol*KN/ACastleman, Peterson, et al., 1983gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.2328.HPMSCastleman, Peterson, et al., 1983gas phase; Entropy change calculated or estimated; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12.2kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M
Quantity Value Units Method Reference Comment
Deltar19.2cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M

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

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

Quantity Value Units Method Reference Comment
Deltar11.8kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
Deltar26.0cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M

Free energy of reaction

DeltarG° (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+) bullet Sulfur dioxide)

By formula: Na+ + O2S = (Na+ bullet O2S)

Quantity Value Units Method Reference Comment
Deltar18.9kcal/molFAPerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar20.3cal/mol*KN/APerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar12.8kcal/molFAPerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar22.4kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M
Quantity Value Units Method Reference Comment
Deltar18.6cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M

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

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

Quantity Value Units Method Reference Comment
Deltar14.1kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
Deltar19.4cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
8.4296.HPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M

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

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

Quantity Value Units Method Reference Comment
Deltar8.10 ± 0.30kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Deltar8.3kcal/molHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar16.0cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.90 ± 0.20kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar9.30kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.7cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.40kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar9.90kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.7cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.10kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar6.60 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar13.4cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar2.60 ± 0.80kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar13.9kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
Deltar19.2cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle; M

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

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

Quantity Value Units Method Reference Comment
Deltar17.4kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar20.2cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
11.5296.HPMSFehsenfeld and Ferguson, 1974gas phase; switching reaction(Cl- H2O)H2O; M

HO2S+ + Sulfur dioxide = (HO2S+ bullet Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Deltar21.3kcal/molPHPMSSzulejko and McMahon, 1992gas phase; M
Deltar23.2kcal/molPHPMSMcMahon and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.7cal/mol*KPHPMSSzulejko and McMahon, 1992gas phase; M
Deltar27.4cal/mol*KPHPMSMcMahon and Kebarle, 1986gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar10.00 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.1cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.10 ± 0.30kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar9.20 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar24.7cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.80 ± 0.60kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar10.10 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.6cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.60 ± 0.30kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar8.60 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.2cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.6 ± 1.0kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar3.50 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.5300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

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

By formula: HO- + O2S = (HO- bullet O2S)

Quantity Value Units Method Reference Comment
Deltar61.9 ± 2.8kcal/molCIDTSquires, 1992gas phase; Dissociative protonation between HCl, MeCHClCO2H; B
Deltar>50.9 ± 3.0kcal/molIMRBHierl and Paulson, 1984gas phase; CO2..HO- + SO2 ->. data revised per 92SQU; B

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

By formula: Br- + O2S = (Br- bullet O2S)

Quantity Value Units Method Reference Comment
Deltar19.3 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.0cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar12.7 ± 2.6kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B

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

By formula: CN- + O2S = (CN- bullet O2S)

Quantity Value Units Method Reference Comment
Deltar21.70 ± 0.80kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar28.cal/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar13.40 ± 0.20kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B

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

By formula: Cs+ + O2S = (Cs+ bullet O2S)

Quantity Value Units Method Reference Comment
Deltar10.8kcal/molDTMcKnight and Sawina, 1972gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.9cal/mol*KDTMcKnight and Sawina, 1972gas phase; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.2300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

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

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

Quantity Value Units Method Reference Comment
Deltar7.4kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar10.4cal/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar5.2kcal/molHPMSBanic and Iribarne, 1985gas phase; From thermochemical cycle,switching reaction, electric fields; M

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

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

Quantity Value Units Method Reference Comment
Deltar8.8kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar14.1cal/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar7.4kcal/molHPMSBanic and Iribarne, 1985gas phase; From thermochemical cycle,switching reaction, electric fields; M

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

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

Quantity Value Units Method Reference Comment
Deltar6.60 ± 0.30kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Deltar3.00 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar7.10 ± 0.70kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Deltar2.60 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar3.80 ± 0.90kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Deltar1.10 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar3.70 ± 0.70kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Deltar0.60 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar7.10 ± 0.40kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Deltar3.80 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar7.10 ± 0.70kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Deltar3.00 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

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

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

Free energy of reaction

DeltarG° (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- bullet 6Sulfur dioxide bullet Water) + Sulfur dioxide = (O2S- bullet 7Sulfur dioxide bullet Water)

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

Quantity Value Units Method Reference Comment
Deltar3.20 ± 0.60kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Deltar0.70 ± 0.20kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar4.30 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.3299.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

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

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

Quantity Value Units Method Reference Comment
Deltar9.00 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.1300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

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

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

Quantity Value Units Method Reference Comment
Deltar3.60 ± 0.40kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Deltar1.5 ± 3.0kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar4.60 ± 0.40kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Deltar2.5 ± 2.0kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar5.70 ± 0.60kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Deltar3.6 ± 2.1kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B

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

By formula: CH3+ + O2S = (CH3+ bullet O2S)

Quantity Value Units Method Reference Comment
Deltar60.6kcal/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

References

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

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

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

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

Caldwell and Kebarle, 1985
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]

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

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

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

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

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]

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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, Gas phase thermochemistry data, Reaction thermochemistry data, References