Sulfur dioxide

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Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, References, Notes

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

Quantity Value Units Method Reference Comment
Δfgas-70.939 ± 0.048kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas-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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View table.

Temperature (K) 298. to 1200.1200. to 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

Phase change data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus200.75KN/AHoffman and Vanderwerf, 1946Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple197.64KN/AGiauque and Stephenson, 1938Uncertainty assigned by TRC = 0.05 K; Temp. Scale based on T0 = 273.10 K; TRC
Quantity Value Units Method Reference Comment
Ptriple0.0165atmN/AGiauque and Stephenson, 1938Uncertainty assigned by TRC = 0.000066 atm; TRC
Quantity Value Units Method Reference Comment
Tc430.34KN/ATravers and Usher, 1906Uncertainty assigned by TRC = 0.4 K; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
5.95263.N/AGiauque and Stephenson, 1938, 2Based on data from 200. to 263. K.; AC
5.95263.CGiauque and Stephenson, 1938, 2AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
177.7 to 263.3.48015668.225-72.252Stull, 1947Coefficents calculated by NIST from author's data.
263. to 414.94.37227966.575-42.071Stull, 1947Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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
Δr22.2 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Δr20.9 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B
Δr22.2 ± 2.2kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M
Δr21.80 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Δr20.9kcal/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
Δr21.6cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Δr24.1cal/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(Cl-)H2O), Entropy change calculated or estimated; Keesee and Castleman, 1980; M
Δr20.8cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δr23.2cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr15.7 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B
Δr14.7 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B
Δr15.0 ± 1.6kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M
Δr14.80 ± 0.30kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B
Δr14.7kcal/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
Δr53.8 ± 2.2kcal/molCIDTLobring, Check, et al., 2003gas phase; B
Δr53.0 ± 2.5kcal/molCIDTSquires, 1992gas phase; B
Δr43.8kcal/molICRLarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Δr43.8 ± 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
Δr59.kcal/molSAMSRobbiani and Franklin, 1979gas phase; Cl- + CO2ClF --> SO2F- + Cl2, ΔrH>; M
Quantity Value Units Method Reference Comment
Δr24.cal/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Δr23.0cal/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
Δr36.6kcal/molICRLarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Δr36.9 ± 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
Δr17.2 ± 2.0kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M
Δr18.2 ± 1.2kcal/molTDAsWlodek, Luczynski, et al., 1983gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.2cal/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M
Δr31.6cal/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr9.6 ± 2.0kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M
Δr10.00 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B
Δr8.80 ± 0.90kcal/molTDAsWlodek, Luczynski, et al., 1983gas phase; B
Δr10.6kcal/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
Δr14.3 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Δr12.90 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr17.6cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Δr20.2cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr9.0 ± 2.6kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B
Δr1.70 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B
Δr6.80 ± 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
Δr24.00 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Δr21.3 ± 1.3kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Δr18.50kcal/molN/ADresch, Kramer, et al., 1991gas phase; Both dissociation and electron detachment?; B
Δr18.30kcal/molN/ASnodgrass, Coe, et al., 1988gas phase; Appears to be dissociation + electron detachment; B
Quantity Value Units Method Reference Comment
Δr33.8cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr13.90 ± 0.40kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B
Δr10.4 ± 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
Δr25.90 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Δr24.3 ± 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
Δr36.8cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Δr31.6cal/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
Δr14.90 ± 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
Δr14.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
Δr20.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
Δr10.40kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.4cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr4.60kcal/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
Δr12.3 ± 1.0kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Δr12.3kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Δr22.7cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr5.5 ± 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
Δr9.00 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Δr9.8kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; M
Δr16.8cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr4.00 ± 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
Δr12.3kcal/molHPMSCastleman, Peterson, et al., 1983gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr27.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
Δr12.2kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M
Quantity Value Units Method Reference Comment
Δr19.2cal/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
Δr11.8kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
Δr26.0cal/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
Δr18.9kcal/molFAPerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KN/APerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr12.8kcal/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
Δr22.4kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M
Quantity Value Units Method Reference Comment
Δr18.6cal/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
Δr14.1kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
Δr19.4cal/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
Δr8.10 ± 0.30kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Δr8.3kcal/molHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr16.0cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr3.90 ± 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
Δr9.30kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.7cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr3.40kcal/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
Δr9.90kcal/molTDAsUpschulte, Schelling, et al., 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.7cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr3.10kcal/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
Δr6.60 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr13.4cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr2.60 ± 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
Δr13.9kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
Δr19.2cal/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
Δr17.4kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/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
Δr21.3kcal/molPHPMSSzulejko and McMahon, 1992gas phase; M
Δr23.2kcal/molPHPMSMcMahon and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr25.7cal/mol*KPHPMSSzulejko and McMahon, 1992gas phase; M
Δr27.4cal/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
Δr10.00 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.1cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr3.10 ± 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
Δr9.20 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.7cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr1.80 ± 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
Δr10.10 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.6cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr3.60 ± 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
Δr8.60 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.2cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr1.6 ± 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
Δr3.50 ± 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
Δr61.9 ± 2.8kcal/molCIDTSquires, 1992gas phase; Dissociative protonation between HCl, MeCHClCO2H; B
Δr>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
Δr19.3 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.0cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr12.7 ± 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
Δr21.70 ± 0.80kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr28.cal/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr13.40 ± 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
Δr10.8kcal/molDTMcKnight and Sawina, 1972gas phase; M
Quantity Value Units Method Reference Comment
Δr18.9cal/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
Δr7.4kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr10.4cal/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
Δr5.2kcal/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
Δr8.8kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr14.1cal/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
Δr7.4kcal/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
Δr6.60 ± 0.30kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr3.00 ± 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
Δr7.10 ± 0.70kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr2.60 ± 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
Δr3.80 ± 0.90kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr1.10 ± 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
Δr3.70 ± 0.70kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr0.60 ± 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
Δr7.10 ± 0.40kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr3.80 ± 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
Δr7.10 ± 0.70kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr3.00 ± 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
Δr3.20 ± 0.60kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr0.70 ± 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
Δr4.30 ± 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
Δr9.00 ± 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
Δr3.60 ± 0.40kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr1.5 ± 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
Δr4.60 ± 0.40kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr2.5 ± 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
Δr5.70 ± 0.60kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr3.6 ± 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
Δr60.6kcal/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

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, 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)160.7kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity153.8kcal/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) (kcal/mol) Reference Comment
<149.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
<145.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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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
Δr10.9kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr18.9cal/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
Δr12.1kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr18.6cal/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
Δr19.3 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.0cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr12.7 ± 2.6kcal/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
Δr11.2kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr18.7cal/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
Δr8.5kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr13.8cal/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
Δr60.6kcal/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

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

By formula: CN- + O2S = (CN- • O2S)

Quantity Value Units Method Reference Comment
Δr21.70 ± 0.80kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr28.cal/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr13.40 ± 0.20kcal/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
Δr14.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
Δr20.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

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

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

Quantity Value Units Method Reference Comment
Δr3.7kcal/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
Δr2.4kcal/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
Δr2.4kcal/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
Δr12.3kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr18.5cal/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
Δr17.4kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/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

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

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

Quantity Value Units Method Reference Comment
Δr14.1kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
Δr19.4cal/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

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

By formula: Cl- + O2S = (Cl- • O2S)

Quantity Value Units Method Reference Comment
Δr22.2 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Δr20.9 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B
Δr22.2 ± 2.2kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M
Δr21.80 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Δr20.9kcal/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
Δr21.6cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Δr24.1cal/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(Cl-)H2O), Entropy change calculated or estimated; Keesee and Castleman, 1980; M
Δr20.8cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δr23.2cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr15.7 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B
Δr14.7 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B
Δr15.0 ± 1.6kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M
Δr14.80 ± 0.30kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B
Δr14.7kcal/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

(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
Δr11.8kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
Δr26.0cal/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

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

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

Quantity Value Units Method Reference Comment
Δr12.3 ± 1.0kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Δr12.3kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Δr22.7cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr5.5 ± 2.2kcal/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
Δr10.00 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.1cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr3.10 ± 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
Δr8.60 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.2cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr1.6 ± 1.0kcal/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
Δr5.70 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.7290.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° (kcal/mol) T (K) Method Reference Comment
4.3300.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° (kcal/mol) T (K) Method Reference Comment
3.5300.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
Δr10.8kcal/molDTMcKnight and Sawina, 1972gas phase; M
Quantity Value Units Method Reference Comment
Δr18.9cal/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

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

By formula: F- + O2S = (F- • O2S)

Quantity Value Units Method Reference Comment
Δr53.8 ± 2.2kcal/molCIDTLobring, Check, et al., 2003gas phase; B
Δr53.0 ± 2.5kcal/molCIDTSquires, 1992gas phase; B
Δr43.8kcal/molICRLarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Δr43.8 ± 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
Δr59.kcal/molSAMSRobbiani and Franklin, 1979gas phase; Cl- + CO2ClF --> SO2F- + Cl2, ΔrH>; M
Quantity Value Units Method Reference Comment
Δr24.cal/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Δr23.0cal/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
Δr36.6kcal/molICRLarson and McMahon, 1985gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Δr36.9 ± 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

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

By formula: H- + O2S = (H- • O2S)

Quantity Value Units Method Reference Comment
Δr63. ± 16.kcal/molIMRBSheldon, Currie, et al., 1985gas phase; B
Quantity Value Units Method Reference Comment
Δr57. ± 16.kcal/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
Δr61.9 ± 2.8kcal/molCIDTSquires, 1992gas phase; Dissociative protonation between HCl, MeCHClCO2H; B
Δr>50.9 ± 3.0kcal/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
Δr21.3kcal/molPHPMSSzulejko and McMahon, 1992gas phase; M
Δr23.2kcal/molPHPMSMcMahon and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr25.7cal/mol*KPHPMSSzulejko and McMahon, 1992gas phase; M
Δr27.4cal/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
Δr13.7kcal/molHPMSKeesee and Castleman, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr26.1cal/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° (kcal/mol) T (K) Method Reference Comment
4.2300.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° (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

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

By formula: H3O+ + O2S = (H3O+ • O2S)

Quantity Value Units Method Reference Comment
Δr22.0kcal/molPHPMSSzulejko and McMahon, 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr22.7cal/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° (kcal/mol) T (K) Method Reference Comment
6.4300.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° (kcal/mol) T (K) Method Reference Comment
5.0300.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° (kcal/mol) T (K) Method Reference Comment
3.6300.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
Δr9.00 ± 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

Iodide + Sulfur dioxide = (Iodide • Sulfur dioxide)

By formula: I- + O2S = (I- • O2S)

Quantity Value Units Method Reference Comment
Δr14.3 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Δr12.90 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr17.6cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Δr20.2cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr9.0 ± 2.6kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B
Δr1.70 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B
Δr6.80 ± 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

(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
Δr7.10 ± 0.10kcal/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
Δr10.10 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.6cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr3.60 ± 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
Δr9.20 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.7cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr1.80 ± 0.60kcal/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° (kcal/mol) T (K) Method Reference Comment
7.8296.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
Δr25.90 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Δr24.3 ± 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
Δr36.8cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Δr31.6cal/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
Δr14.90 ± 0.30kcal/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
Δr9.00 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Δr9.8kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; M
Δr16.8cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr4.00 ± 0.40kcal/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
Δr6.60 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Quantity Value Units Method Reference Comment
Δr13.4cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr2.60 ± 0.80kcal/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
Δr7.2kcal/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
Δr17.2 ± 2.0kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M
Δr18.2 ± 1.2kcal/molTDAsWlodek, Luczynski, et al., 1983gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.2cal/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M
Δr31.6cal/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr9.6 ± 2.0kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M
Δr10.00 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B
Δr8.80 ± 0.90kcal/molTDAsWlodek, Luczynski, et al., 1983gas phase; B
Δr10.6kcal/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

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

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

Quantity Value Units Method Reference Comment
Δr8.8kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr14.1cal/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
Δr14.1kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr17.4cal/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
Δr4.8kcal/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
Δr18.9kcal/molFAPerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KN/APerry, Rowe, et al., 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr12.8kcal/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
Δr16.6kcal/molHPMSCastleman, Peterson, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr25.5cal/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
Δr14.3kcal/molHPMSCastleman, Peterson, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr26.9cal/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
Δr12.3kcal/molHPMSCastleman, Peterson, et al., 1983gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr27.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

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

By formula: O- + O2S = (O- • O2S)

Quantity Value Units Method Reference Comment
Δr60.kcal/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
Δr13.3kcal/molHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr18.9cal/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
Δr13.8kcal/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
Δr9.6kcal/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
Δr15.2kcal/molPIErickson and Ng, 1981gas phase; M

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

By formula: O2S- + O2S = (O2S- • O2S)

Quantity Value Units Method Reference Comment
Δr24.00 ± 0.20kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B,M
Δr21.3 ± 1.3kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Δr18.50kcal/molN/ADresch, Kramer, et al., 1991gas phase; Both dissociation and electron detachment?; B
Δr18.30kcal/molN/ASnodgrass, Coe, et al., 1988gas phase; Appears to be dissociation + electron detachment; B
Quantity Value Units Method Reference Comment
Δr33.8cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr13.90 ± 0.40kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B
Δr10.4 ± 2.2kcal/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
Δr3.80 ± 0.90kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr1.10 ± 0.20kcal/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
Δr3.20 ± 0.60kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr0.70 ± 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
Δr3.70 ± 0.70kcal/molTDAsVacher, Leduc, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr0.60 ± 0.20kcal/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
Δr8.10 ± 0.30kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Δr8.3kcal/molHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr16.0cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr3.90 ± 0.20kcal/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
Δr6.40 ± 0.20kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr3.00 ± 0.20kcal/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
Δr5.40 ± 0.30kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr2.20 ± 0.20kcal/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
Δr4.20 ± 0.20kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr1.20 ± 0.20kcal/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
Δr3.60 ± 0.30kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr0.90 ± 0.20kcal/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
Δr3.40 ± 0.20kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr0.50 ± 0.20kcal/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
Δr3.40 ± 0.30kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr0.3 ± 1.2kcal/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
Δr3.00 ± 0.40kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr0.3 ± 1.5kcal/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
Δr3.00 ± 0.60kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr0.1 ± 2.3kcal/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
Δr4.60 ± 0.40kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr2.5 ± 2.0kcal/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
Δr3.60 ± 0.40kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr1.5 ± 3.0kcal/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
Δr11.0 ± 1.0kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr6.2 ± 2.2kcal/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
Δr13.30 ± 0.10kcal/molTDAsKeesee, Lee, et al., 1980gas phase; B
Quantity Value Units Method Reference Comment
Δr7.60 ± 0.20kcal/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
Δr5.70 ± 0.60kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr3.6 ± 2.1kcal/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
Δr6.50 ± 0.80kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr4.4 ± 2.2kcal/molTDAsVacher, Jorda, et al., 1992gas phase; B

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

By formula: O4S- + O2S = (O4S- • O2S)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.7296.FAFehsenfeld and Ferguson, 1974gas phase; switching reaction(SO4-)H2O; M

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty


References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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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Giauque and Stephenson, 1938, 2
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Lee, Keesee, et al., 1980
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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
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Perry, Rowe, et al., 1980
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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]

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Weiss, M.J.; Hsieh, T.-C.; Meisels, G.G., Fragmentation of SO2+ prepared in state selected vibrational levels, J. Chem. Phys., 1979, 71, 567. [all data]

Grover, Walters, et al., 1985
Grover, J.R.; Walters, E.A.; Newman, J.K.; White, M.G., Measurement of the Dissociation Energies of Gas - Phase Neutral Dimers by a Photoionization Technique: Values for trans - 2 - Butene/Sulfur Dioxide , (trans - 2 - Butene)2, and Benzene/Sulfur Dioxide, J. Am. Chem. Soc., 1985, 107, 25, 7329, https://doi.org/10.1021/ja00311a020 . [all data]

Sheldon, Currie, et al., 1985
Sheldon, J.C.; Currie, G.J.; Lahnstein, J.; Hayes, R.N.; Bowie, J.H., Gas Phase Ion Chemistry of Ambident Nucleophiles. Reactions of Alkoxide and Thiomethoxide Negative Ions with Hydrogen Free Molecules., Nouv. J. Chem., 1985, 9, 205. [all data]

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]


Notes

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