Sulfur dioxide
- Formula: O2S
- Molecular weight: 64.064
- IUPAC Standard InChIKey: RAHZWNYVWXNFOC-UHFFFAOYSA-N
- CAS Registry Number: 7446-09-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Sulfurous acid anhydride; Fermenicide powder; Fermenticide liquid; Sulfur oxide (SO2); Sulfurous anhydride; Sulfurous oxide; SO2; Sulphur dioxide; Fermenicide liquid; Schwefeldioxyd; Siarki dwutlenek; Sulfur oxide; UN 1079; Sulfur dioxide (SO2); Sulfur superoxide
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Reaction thermochemistry data
Go To: Top, Henry's Law data, Gas phase ion energetics data, Ion clustering data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled 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
By formula: Cl- + O2S = (Cl- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.2 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
ΔrH° | 20.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
ΔrH° | 22.2 ± 2.2 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M |
ΔrH° | 21.80 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
ΔrH° | 20.9 | kcal/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
ΔrS° | 24.1 | cal/mol*K | N/A | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(Cl-)H2O), Entropy change calculated or estimated; Keesee and Castleman, 1980; M |
ΔrS° | 20.8 | cal/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
ΔrS° | 23.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15.7 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
ΔrG° | 14.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
ΔrG° | 15.0 ± 1.6 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M |
ΔrG° | 14.80 ± 0.30 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
ΔrG° | 14.7 | kcal/mol | ICR | Larson and McMahon, 1984 | gas 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 |
---|---|---|---|---|
14.2 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; switching reaction(Cl-)H2O; M |
By formula: F- + O2S = (F- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 53.8 ± 2.2 | kcal/mol | CIDT | Lobring, Check, et al., 2003 | gas phase; B |
ΔrH° | 53.0 ± 2.5 | kcal/mol | CIDT | Squires, 1992 | gas phase; B |
ΔrH° | 43.8 | kcal/mol | ICR | Larson and McMahon, 1985 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
ΔrH° | 43.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
ΔrH° | 59. | kcal/mol | SAMS | Robbiani and Franklin, 1979 | gas phase; Cl- + CO2ClF --> SO2F- + Cl2, ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
ΔrS° | 23.0 | cal/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 36.6 | kcal/mol | ICR | Larson and McMahon, 1985 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
ΔrG° | 36.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas 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 |
By formula: NO3- + O2S = (NO3- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.2 ± 2.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M |
ΔrH° | 18.2 ± 1.2 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.2 | cal/mol*K | N/A | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO3-)H2O, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M |
ΔrS° | 31.6 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.6 ± 2.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M |
ΔrG° | 10.00 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
ΔrG° | 8.80 ± 0.90 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983 | gas phase; B |
ΔrG° | 10.6 | kcal/mol | FA | Fehsenfeld and Ferguson, 1974 | gas 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 |
---|---|---|---|---|
10.0 | 299. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: I- + O2S = (I- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.3 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
ΔrH° | 12.90 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.6 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
ΔrS° | 20.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.0 ± 2.6 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
ΔrG° | 1.70 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
ΔrG° | 6.80 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.0 | 301. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: O2S- + O2S = (O2S- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.00 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
ΔrH° | 21.3 ± 1.3 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
ΔrH° | 18.50 | kcal/mol | N/A | Dresch, Kramer, et al., 1991 | gas phase; Both dissociation and electron detachment?; B |
ΔrH° | 18.30 | kcal/mol | N/A | Snodgrass, Coe, et al., 1988 | gas phase; Appears to be dissociation + electron detachment; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.8 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.90 ± 0.40 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
ΔrG° | 10.4 ± 2.2 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
By formula: NO2- + O2S = (NO2- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.90 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
ΔrH° | 24.3 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 36.8 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
ΔrS° | 31.6 | cal/mol*K | N/A | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO2-)H2O, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 14.90 ± 0.30 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: CO3- + O2S = (CO3- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. | kcal/mol | HPMS | Keesee, Lee, et al., 1980 | gas phase; switching reaction(O-)CO2, Entropy change calculated or estimated; Fehsenfeld and Ferguson, 1974; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Keesee, Lee, et al., 1980 | gas 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 |
---|---|---|---|---|
8.0 | 296. | HPMS | Keesee, Lee, et al., 1980 | gas phase; switching reaction(O-)CO2, Entropy change calculated or estimated; Fehsenfeld and Ferguson, 1974; M |
By formula: (Cl- • O2S) + H2O = (Cl- • H2O • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.40 | kcal/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.4 | cal/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.60 | kcal/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.5 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; From thermochemical cycle,switching reaction(H2O/SO2); M |
By formula: (Cl- • O2S) + O2S = (Cl- • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 ± 1.0 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
ΔrH° | 12.3 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
ΔrS° | 22.7 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.5 ± 2.2 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (NO2- • O2S) + O2S = (NO2- • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.00 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
ΔrH° | 9.8 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; M |
ΔrS° | 16.8 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.00 ± 0.40 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (Na+ • 3O2S) + O2S = (Na+ • 4O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | kcal/mol | HPMS | Castleman, Peterson, et al., 1983 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27. | cal/mol*K | N/A | Castleman, Peterson, et al., 1983 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.2 | 328. | HPMS | Castleman, Peterson, et al., 1983 | gas phase; Entropy change calculated or estimated; M |
By formula: (Br- • O2S) + HBr = (Br- • HBr • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.2 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M |
By formula: (Cl- • O2S • H2O) + O2S = (Cl- • 2O2S • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 | kcal/mol | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.1 | 296. | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
By formula: Na+ + O2S = (Na+ • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.9 | kcal/mol | FA | Perry, Rowe, et al., 1980 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.3 | cal/mol*K | N/A | Perry, Rowe, et al., 1980 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.8 | kcal/mol | FA | Perry, Rowe, et al., 1980 | gas phase; Entropy change calculated or estimated; M |
By formula: (Br- • O2S) + HCl = (Br- • HCl • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.4 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.6 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M |
By formula: (Cl- • 2H2O) + O2S = (Cl- • O2S • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.1 | kcal/mol | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.4 | cal/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.4 | 296. | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
By formula: (O2S- • O2S) + O2S = (O2S- • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.10 ± 0.30 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
ΔrH° | 8.3 | kcal/mol | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.0 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.90 ± 0.20 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (Cl- • H2O • O2S) + H2O = (Cl- • 2H2O • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.30 | kcal/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.7 | cal/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.40 | kcal/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B |
By formula: (Cl- • 2O2S) + H2O = (Cl- • H2O • 2O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.90 | kcal/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.7 | cal/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.10 | kcal/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B |
By formula: (NO2- • 2O2S) + O2S = (NO2- • 3O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.60 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 13.4 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.60 ± 0.80 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (Cl- • O2S) + HCl = (Cl- • HCl • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.9 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.2 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle; M |
By formula: (Cl- • H2O) + O2S = (Cl- • O2S • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.4 | kcal/mol | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.2 | cal/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
11.5 | 296. | HPMS | Fehsenfeld and Ferguson, 1974 | gas phase; switching reaction(Cl- H2O)H2O; M |
By formula: HO2S+ + O2S = (HO2S+ • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.3 | kcal/mol | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrH° | 23.2 | kcal/mol | PHPMS | McMahon and Kebarle, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.7 | cal/mol*K | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrS° | 27.4 | cal/mol*K | PHPMS | McMahon and Kebarle, 1986 | gas phase; M |
By formula: (Cl- • 2O2S) + O2S = (Cl- • 3O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.00 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.1 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.10 ± 0.30 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (I- • 2O2S) + O2S = (I- • 3O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.20 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.7 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.80 ± 0.60 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (I- • O2S) + O2S = (I- • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.10 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.60 ± 0.30 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (Cl- • 3O2S) + O2S = (Cl- • 4O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.60 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.6 ± 1.0 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (I- • O2S) + H2O = (I- • H2O • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 3.50 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.5 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: HO- + O2S = (HO- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.9 ± 2.8 | kcal/mol | CIDT | Squires, 1992 | gas phase; Dissociative protonation between HCl, MeCHClCO2H; B |
ΔrH° | >50.9 ± 3.0 | kcal/mol | IMRB | Hierl and Paulson, 1984 | gas phase; CO2..HO- + SO2 ->. data revised per 92SQU; B |
By formula: Br- + O2S = (Br- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.3 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.0 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.7 ± 2.6 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
By formula: CN- + O2S = (CN- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.70 ± 0.80 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. | cal/mol*K | PHPMS | Larson, Szulejko, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.40 ± 0.20 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B |
By formula: Cs+ + O2S = (Cs+ • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 | kcal/mol | DT | McKnight and Sawina, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.9 | cal/mol*K | DT | McKnight and Sawina, 1972 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.2 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (NO2- • O2S) + C2H5NO3 = (NO2- • C2H5NO3 • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.4 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 10.4 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; Entropy change is questionable; M |
By formula: (H4N+ • 2H2O • O2S) + H2O = (H4N+ • 3H2O • O2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.2 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; From thermochemical cycle,switching reaction, electric fields; M |
By formula: (NO3- • O2S) + O2S = (NO3- • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.8 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 14.1 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; Entropy change is questionable; M |
By formula: (H4N+ • H2O • O2S) + H2O = (H4N+ • 2H2O • O2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.4 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; From thermochemical cycle,switching reaction, electric fields; M |
(O2S- • 2 • 3) + = (O2S- • 3 • 3)
By formula: (O2S- • 2H2O • 3O2S) + H2O = (O2S- • 3H2O • 3O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.60 ± 0.30 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.00 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
(O2S- • 2 • 4) + = (O2S- • 3 • 4)
By formula: (O2S- • 2H2O • 4O2S) + H2O = (O2S- • 3H2O • 4O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.10 ± 0.70 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.60 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
(O2S- • 5 • 2) + = (O2S- • 6 • 2)
By formula: (O2S- • 5O2S • 2H2O) + O2S = (O2S- • 6O2S • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.80 ± 0.90 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.10 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
(O2S- • 6 • 2) + = (O2S- • 7 • 2)
By formula: (O2S- • 6O2S • 2H2O) + O2S = (O2S- • 7O2S • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.70 ± 0.70 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.60 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
(O2S- • • 3) + = (O2S- • 2 • 3)
By formula: (O2S- • H2O • 3O2S) + H2O = (O2S- • 2H2O • 3O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.10 ± 0.40 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.80 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
(O2S- • • 4) + = (O2S- • 2 • 4)
By formula: (O2S- • H2O • 4O2S) + H2O = (O2S- • 2H2O • 4O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.10 ± 0.70 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.00 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
By formula: (H3O+ • 4H2O) + O2S = (H3O+ • O2S • 4H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.6 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
2.6 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
(O2S- • 6 • ) + = (O2S- • 7 • )
By formula: (O2S- • 6O2S • H2O) + O2S = (O2S- • 7O2S • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.20 ± 0.60 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.70 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
By formula: (NO3- • O2S) + H2O = (NO3- • H2O • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.30 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.3 | 299. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (I- • H2O) + O2S = (I- • O2S • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 9.00 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.1 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
(O2S- • 2 • ) + = (O2S- • 3 • )
By formula: (O2S- • 2O2S • O2) + O2S = (O2S- • 3O2S • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.60 ± 0.40 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.5 ± 3.0 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O2S- • O2S • O2) + O2S = (O2S- • 2O2S • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.60 ± 0.40 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.5 ± 2.0 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O3S- • O2S • O2) + O2S = (O3S- • 2O2S • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.70 ± 0.60 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.6 ± 2.1 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: CH3+ + O2S = (CH3+ • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.6 | kcal/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M |
Henry's Law data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
1.4 | 2900. | L | N/A | |
1.5 | 3200. | Q | N/A | Only the tabulated data between T = 273. K and T = 303. K from missing citation was used to derive kH and -Δ kH/R. Above T = 303. K the tabulated data could not be parameterized by equation (reference missing) very well. The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by missing citation. The quantities A and α from missing citation were assumed to be identical. |
1.2 | 3100. | C | N/A | |
1.2 | 3200. | C | N/A | |
1.2 | 3100. | T | N/A | |
1.2 | 3100. | Q | N/A | missing citation refer to several references in their list of Henry's law constants but they don't assign them to specific species. |
1.3 | 3100. | N/A | N/A | |
1.2 | 3200. | X | N/A | The value is taken from the compilation of solubilities by W. Asman (unpublished). |
1.2 | X | N/A | Value given here as quoted by missing citation. | |
1.2 | C | N/A | ||
1.3 | 2800. | X | N/A | |
1.2 | 3000. | L | N/A | |
1.4 | 2800. | L | N/A | |
1.2 | 3100. | X | N/A | The value is taken from the compilation of solubilities by W. Asman (unpublished). |
1.1 | c | N/A | ||
1.2 | 3100. | c | N/A | |
1.2 | 3200. | X | N/A | The value is taken from the compilation of solubilities by W. Asman (unpublished). |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Henry's Law data, Ion clustering data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data 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 ± 0.001 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 160.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 153.8 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.1070 ± 0.0080 | LPES | Nimlos and Ellison, 1986 | B |
1.097 ± 0.036 | LPES | Celotta, Bennett, et al., 1974 | B |
1.10 ± 0.10 | TDEq | Chowdhury, Heinis, et al., 1986 | ΔGea(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 ± 0.20 | IMRB | Grabowski, VanDoren, et al., 1984 | B |
1.04998 | Endo | Refaey and Franklin, 1976 | B |
1.00 ± 0.10 | Endo | Hughes, Lifschitz, et al., 1973 | B |
1.00 ± 0.050 | PD | Feldman, 1970 | B |
1.06 ± 0.10 | IMRB | Kraus, Muller-Duysing, et al., 1961 | Between NH2-, C-; B |
1.14 ± 0.15 | NBIE | Rothe, Tang, et al., 1975 | B |
Gas basicity at 298K
Gas basicity (review) (kcal/mol) | Reference | Comment |
---|---|---|
<149. | Milligan, Fairley, et al., 1998 | Irreversible 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., 1998 | Irreversible 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 ± 0.1 | EI | Snow and Thomas, 1990 | LL |
12.3494 ± 0.0002 | PE | Wang, Lee, et al., 1987 | LBLHLM |
12.5 ± 0.3 | EI | Orient and Srivastava, 1984 | LBLHLM |
12.4 ± 0.2 | EI | Smith and Stevenson, 1981 | LLK |
12.3 | PE | Lloyd and Roberts, 1973 | LLK |
12.31 | PE | Bock, Solouki, et al., 1973 | LLK |
12.30 ± 0.01 | PE | Eland and Danby, 1968 | RDSH |
12.32 ± 0.01 | PI | Dibeler and Liston, 1968 | RDSH |
12.34 | S | Golomb, Watanabe, et al., 1962 | RDSH |
12.34 ± 0.02 | PI | Watanabe, 1957 | RDSH |
12.50 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
12.54 | PE | Kroner, Strack, et al., 1973 | Vertical value; LLK |
12.50 | PE | Chadwick, Frost, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
O+ | 23.5 ± 0.5 | SO | EI | Orient and Srivastava, 1984 | LBLHLM |
O+ | 20.6 | SO | EI | Reese, Dibeter, et al., 1958 | RDSH |
OS+ | 16.5 ± 0.5 | O | EI | Orient and Srivastava, 1984 | LBLHLM |
OS+ | 16.2 ± 0.2 | O | EI | Smith and Stevenson, 1981 | LLK |
OS+ | 15.930 ± 0.005 | O | PE | Weiss, Hsieh, et al., 1979 | LLK |
SO+ | 15.81 ± 0.02 | O | PI | Dibeler and Liston, 1968 | RDSH |
O2+ | 17.5 ± 0.3 | S | EI | Reese, Dibeter, et al., 1958 | RDSH |
S+ | 16.5 ± 0.5 | O2/2O | EI | Orient and Srivastava, 1984 | LBLHLM |
S+ | 22. | 2O | EI | Smith and Stevenson, 1981 | LLK |
S+ | 16.334 | O2/2O | PE | Weiss, Hsieh, et al., 1979 | LLK |
S+ | 17.5 ± 0.3 | O2 | EI | Reese, Dibeter, et al., 1958 | RDSH |
Ion clustering data
Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
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
By formula: (Br- • HBr) + O2S = (Br- • O2S • HBr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.9 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.9 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
By formula: (Br- • HCl) + O2S = (Br- • O2S • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.1 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.6 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
By formula: Br- + O2S = (Br- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.3 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.0 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.7 ± 2.6 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
By formula: (Br- • O2S) + O2S = (Br- • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.7 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
By formula: (Br- • 2O2S) + O2S = (Br- • 3O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.5 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 13.8 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
By formula: CH3+ + O2S = (CH3+ • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.6 | kcal/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M |
By formula: CN- + O2S = (CN- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.70 ± 0.80 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. | cal/mol*K | PHPMS | Larson, Szulejko, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.40 ± 0.20 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B |
By formula: CO3- + O2S = (CO3- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. | kcal/mol | HPMS | Keesee, Lee, et al., 1980 | gas phase; switching reaction(O-)CO2, Entropy change calculated or estimated; Fehsenfeld and Ferguson, 1974; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Keesee, Lee, et al., 1980 | gas 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 |
---|---|---|---|---|
8.0 | 296. | HPMS | Keesee, Lee, et al., 1980 | gas phase; switching reaction(O-)CO2, Entropy change calculated or estimated; Fehsenfeld and Ferguson, 1974; M |
By formula: C4H6+ + O2S = (C4H6+ • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.7 | kcal/mol | PI | Grover, Walters, et al., 1985 | gas phase; M |
By formula: C4H8+ + O2S = (C4H8+ • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.4 | kcal/mol | PI | Grover, Walters, et al., 1985 | gas phase; M |
By formula: C4H8+ + O2S = (C4H8+ • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.4 | kcal/mol | PI | Grover, Walters, et al., 1985 | gas phase; M |
By formula: (Cl- • HCl) + O2S = (Cl- • O2S • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.5 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
By formula: (Cl- • H2O) + O2S = (Cl- • O2S • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.4 | kcal/mol | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.2 | cal/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
11.5 | 296. | HPMS | Fehsenfeld and Ferguson, 1974 | gas phase; switching reaction(Cl- H2O)H2O; M |
By formula: (Cl- • 2H2O) + O2S = (Cl- • O2S • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.1 | kcal/mol | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.4 | cal/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.4 | 296. | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
By formula: Cl- + O2S = (Cl- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.2 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
ΔrH° | 20.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
ΔrH° | 22.2 ± 2.2 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M |
ΔrH° | 21.80 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
ΔrH° | 20.9 | kcal/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
ΔrS° | 24.1 | cal/mol*K | N/A | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(Cl-)H2O), Entropy change calculated or estimated; Keesee and Castleman, 1980; M |
ΔrS° | 20.8 | cal/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
ΔrS° | 23.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15.7 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
ΔrG° | 14.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
ΔrG° | 15.0 ± 1.6 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M |
ΔrG° | 14.80 ± 0.30 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
ΔrG° | 14.7 | kcal/mol | ICR | Larson and McMahon, 1984 | gas 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 |
---|---|---|---|---|
14.2 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; switching reaction(Cl-)H2O; M |
By formula: (Cl- • O2S • H2O) + O2S = (Cl- • 2O2S • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 | kcal/mol | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.1 | 296. | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; From thermochemical cycle; M |
By formula: (Cl- • O2S) + O2S = (Cl- • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 ± 1.0 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
ΔrH° | 12.3 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
ΔrS° | 22.7 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.5 ± 2.2 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (Cl- • 2O2S) + O2S = (Cl- • 3O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.00 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.1 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.10 ± 0.30 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (Cl- • 3O2S) + O2S = (Cl- • 4O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.60 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.6 ± 1.0 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: ClO4- + O2S = (ClO4- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.70 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.7 | 290. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (Cs+ • H2O) + O2S = (Cs+ • O2S • H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.3 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (Cs+ • 2H2O) + O2S = (Cs+ • O2S • 2H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.5 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: Cs+ + O2S = (Cs+ • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 | kcal/mol | DT | McKnight and Sawina, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.9 | cal/mol*K | DT | McKnight and Sawina, 1972 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.2 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: F- + O2S = (F- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 53.8 ± 2.2 | kcal/mol | CIDT | Lobring, Check, et al., 2003 | gas phase; B |
ΔrH° | 53.0 ± 2.5 | kcal/mol | CIDT | Squires, 1992 | gas phase; B |
ΔrH° | 43.8 | kcal/mol | ICR | Larson and McMahon, 1985 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
ΔrH° | 43.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
ΔrH° | 59. | kcal/mol | SAMS | Robbiani and Franklin, 1979 | gas phase; Cl- + CO2ClF --> SO2F- + Cl2, ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
ΔrS° | 23.0 | cal/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 36.6 | kcal/mol | ICR | Larson and McMahon, 1985 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
ΔrG° | 36.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas 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 |
By formula: H- + O2S = (H- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63. ± 16. | kcal/mol | IMRB | Sheldon, Currie, et al., 1985 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 57. ± 16. | kcal/mol | IMRB | Sheldon, Currie, et al., 1985 | gas phase; B |
By formula: HO- + O2S = (HO- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.9 ± 2.8 | kcal/mol | CIDT | Squires, 1992 | gas phase; Dissociative protonation between HCl, MeCHClCO2H; B |
ΔrH° | >50.9 ± 3.0 | kcal/mol | IMRB | Hierl and Paulson, 1984 | gas phase; CO2..HO- + SO2 ->. data revised per 92SQU; B |
By formula: HO2S+ + O2S = (HO2S+ • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.3 | kcal/mol | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrH° | 23.2 | kcal/mol | PHPMS | McMahon and Kebarle, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.7 | cal/mol*K | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrS° | 27.4 | cal/mol*K | PHPMS | McMahon and Kebarle, 1986 | gas phase; M |
By formula: HO4S- + O2S = (HO4S- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | HPMS | Keesee and Castleman, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.1 | cal/mol*K | HPMS | Keesee and Castleman, 1986 | gas phase; M |
By formula: (H3O+ • 3H2O) + O2S = (H3O+ • O2S • 3H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.2 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (H3O+ • 4H2O) + O2S = (H3O+ • O2S • 4H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.6 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
2.6 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: H3O+ + O2S = (H3O+ • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.0 | kcal/mol | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.7 | cal/mol*K | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
By formula: (H4N+ • H2O) + O2S = (H4N+ • O2S • H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.4 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (H4N+ • 2H2O) + O2S = (H4N+ • O2S • 2H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.0 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (H4N+ • 3H2O) + O2S = (H4N+ • O2S • 3H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.6 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (I- • H2O) + O2S = (I- • O2S • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 9.00 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.1 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: I- + O2S = (I- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.3 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
ΔrH° | 12.90 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.6 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
ΔrS° | 20.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.0 ± 2.6 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
ΔrG° | 1.70 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
ΔrG° | 6.80 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.0 | 301. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (I- • O2S • H2O) + O2S = (I- • 2O2S • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.10 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
By formula: (I- • O2S) + O2S = (I- • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.10 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.60 ± 0.30 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (I- • 2O2S) + O2S = (I- • 3O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.20 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.7 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.80 ± 0.60 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: NO- + O2S = (NO- • O2S)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.8 | 296. | SAMS | Vanderhoff and Heimerl, 1977 | gas phase; switching reaction(NO+)NO; Puckett and Teague, 1971; M |
By formula: NO2- + O2S = (NO2- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.90 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
ΔrH° | 24.3 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 36.8 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
ΔrS° | 31.6 | cal/mol*K | N/A | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO2-)H2O, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 14.90 ± 0.30 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (NO2- • O2S) + O2S = (NO2- • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.00 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
ΔrH° | 9.8 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; M |
ΔrS° | 16.8 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.00 ± 0.40 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (NO2- • 2O2S) + O2S = (NO2- • 3O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.60 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 13.4 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.60 ± 0.80 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (NO3- • H2O) + O2S = (NO3- • O2S • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.2 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; From thermochemical cycle,switching reaction, electric fields; M |
By formula: NO3- + O2S = (NO3- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.2 ± 2.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M |
ΔrH° | 18.2 ± 1.2 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.2 | cal/mol*K | N/A | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO3-)H2O, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M |
ΔrS° | 31.6 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.6 ± 2.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M |
ΔrG° | 10.00 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
ΔrG° | 8.80 ± 0.90 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983 | gas phase; B |
ΔrG° | 10.6 | kcal/mol | FA | Fehsenfeld and Ferguson, 1974 | gas 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 |
---|---|---|---|---|
10.0 | 299. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (NO3- • O2S) + O2S = (NO3- • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.8 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 14.1 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; Entropy change is questionable; M |
By formula: (Na+ • H2O) + O2S = (Na+ • O2S • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.1 | kcal/mol | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.4 | cal/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
By formula: (Na+ • 3H2O) + O2S = (Na+ • O2S • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.8 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: Na+ + O2S = (Na+ • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.9 | kcal/mol | FA | Perry, Rowe, et al., 1980 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.3 | cal/mol*K | N/A | Perry, Rowe, et al., 1980 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.8 | kcal/mol | FA | Perry, Rowe, et al., 1980 | gas phase; Entropy change calculated or estimated; M |
By formula: (Na+ • O2S) + O2S = (Na+ • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.6 | kcal/mol | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.5 | cal/mol*K | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
By formula: (Na+ • 2O2S) + O2S = (Na+ • 3O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.3 | kcal/mol | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.9 | cal/mol*K | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
By formula: (Na+ • 3O2S) + O2S = (Na+ • 4O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | kcal/mol | HPMS | Castleman, Peterson, et al., 1983 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27. | cal/mol*K | N/A | Castleman, Peterson, et al., 1983 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.2 | 328. | HPMS | Castleman, Peterson, et al., 1983 | gas phase; Entropy change calculated or estimated; M |
By formula: O- + O2S = (O- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. | kcal/mol | FA | Fehsenfeld and Ferguson, 1974 | gas phase; switching reaction(O-)CO2, ΔrH>; Hiller and Vestal, 1980, Keesee and Castleman, 1986; M |
By formula: (O- • O2S) + O2S = (O- • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.3 | kcal/mol | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.9 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
By formula: OS+ + O2S = (OS+ • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 | kcal/mol | PI | Erickson and Ng, 1981 | gas phase; M |
By formula: O2+ + O2S = (O2+ • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 9.6 | kcal/mol | FA | Adams and Bohme, 1970 | gas phase; switching reaction(O2+)O2; Conway and Janik, 1970; M |
By formula: O2S+ + O2S = (O2S+ • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.2 | kcal/mol | PI | Erickson and Ng, 1981 | gas phase; M |
By formula: O2S- + O2S = (O2S- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.00 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
ΔrH° | 21.3 ± 1.3 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
ΔrH° | 18.50 | kcal/mol | N/A | Dresch, Kramer, et al., 1991 | gas phase; Both dissociation and electron detachment?; B |
ΔrH° | 18.30 | kcal/mol | N/A | Snodgrass, Coe, et al., 1988 | gas phase; Appears to be dissociation + electron detachment; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.8 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.90 ± 0.40 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
ΔrG° | 10.4 ± 2.2 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
(O2S- • 5 • 2) + = (O2S- • 6 • 2)
By formula: (O2S- • 5O2S • 2H2O) + O2S = (O2S- • 6O2S • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.80 ± 0.90 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.10 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
(O2S- • 6 • ) + = (O2S- • 7 • )
By formula: (O2S- • 6O2S • H2O) + O2S = (O2S- • 7O2S • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.20 ± 0.60 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.70 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
(O2S- • 6 • 2) + = (O2S- • 7 • 2)
By formula: (O2S- • 6O2S • 2H2O) + O2S = (O2S- • 7O2S • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.70 ± 0.70 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.60 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
By formula: (O2S- • O2S) + O2S = (O2S- • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.10 ± 0.30 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
ΔrH° | 8.3 | kcal/mol | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.0 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.90 ± 0.20 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O2S- • 2O2S) + O2S = (O2S- • 3O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.40 ± 0.20 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.00 ± 0.20 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O2S- • 3O2S) + O2S = (O2S- • 4O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.40 ± 0.30 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.20 ± 0.20 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O2S- • 4O2S) + O2S = (O2S- • 5O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.20 ± 0.20 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.20 ± 0.20 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O2S- • 5O2S) + O2S = (O2S- • 6O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.60 ± 0.30 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.90 ± 0.20 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O2S- • 6O2S) + O2S = (O2S- • 7O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.40 ± 0.20 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.50 ± 0.20 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O2S- • 7O2S) + O2S = (O2S- • 8O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.40 ± 0.30 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.3 ± 1.2 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O2S- • 8O2S) + O2S = (O2S- • 9O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.00 ± 0.40 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.3 ± 1.5 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O2S- • 9O2S) + O2S = (O2S- • 10O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.00 ± 0.60 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.1 ± 2.3 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O2S- • O2S • O2) + O2S = (O2S- • 2O2S • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.60 ± 0.40 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.5 ± 2.0 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
(O2S- • 2 • ) + = (O2S- • 3 • )
By formula: (O2S- • 2O2S • O2) + O2S = (O2S- • 3O2S • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.60 ± 0.40 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.5 ± 3.0 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O2S- • O2) + O2S = (O2S- • O2S • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 ± 1.0 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.2 ± 2.2 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: O3S- + O2S = (O3S- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.30 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.60 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (O3S- • O2S • O2) + O2S = (O3S- • 2O2S • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.70 ± 0.60 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.6 ± 2.1 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O3S- • O2) + O2S = (O3S- • O2S • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.50 ± 0.80 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.4 ± 2.2 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: O4S- + O2S = (O4S- • O2S)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.7 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; switching reaction(SO4-)H2O; M |
References
Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy T Temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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