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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 102
- Henry's Law data
- Mass spectrum (electron ionization)
- Gas Chromatography
- Fluid Properties
- Data at other public NIST sites:
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- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
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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 |
---|---|---|---|---|---|
ΔfH°gas | -70.939 ± 0.048 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | -70.946 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1961 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 59.327 ± 0.012 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 59.324 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1961 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1200. | 1200. to 6000. |
---|---|---|
A | 5.122011 | 13.73850 |
B | 17.77030 | 0.241235 |
C | -13.80310 | -0.018234 |
D | 3.909021 | 0.001237 |
E | 0.020729 | -0.966874 |
F | -73.08050 | -77.53681 |
G | 60.91950 | 72.36611 |
H | -70.94699 | -70.94699 |
Reference | Chase, 1998 | Chase, 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 |
---|---|---|---|---|---|
Tfus | 200.75 | K | N/A | Hoffman and Vanderwerf, 1946 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 197.64 | K | N/A | Giauque and Stephenson, 1938 | Uncertainty assigned by TRC = 0.05 K; Temp. Scale based on T0 = 273.10 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 0.0165 | atm | N/A | Giauque and Stephenson, 1938 | Uncertainty assigned by TRC = 0.000066 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 430.34 | K | N/A | Travers and Usher, 1906 | Uncertainty assigned by TRC = 0.4 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.95 | 263. | N/A | Giauque and Stephenson, 1938, 2 | Based on data from 200. to 263. K.; AC |
5.95 | 263. | C | Giauque and Stephenson, 1938, 2 | AC |
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. | 3.48015 | 668.225 | -72.252 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
263. to 414.9 | 4.37227 | 966.575 | -42.071 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
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
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 |
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 ± 0.001 | 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, 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
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 |
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.
- GAS (100 mmHg DILUTED TO A TOTAL PRESSURE OF 600 mmHg WITH N2); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 1 CM-1 AT 4000 cm-1 resolution
Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
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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Larson, J.W.; McMahon, T.B.,
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Negative ion-molecule reaction in sulfuryl halides,
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Castleman, Peterson, et al., 1983
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Vacher, Jorda, et al., 1992
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A Determination of the Stabilities of Negative Ion Clusters in SO2 and SO2-O2 Mixtures,
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Szulejko and McMahon, 1992
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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,
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Hierl and Paulson, 1984
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Chowdhury, Heinis, et al., 1986
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Entropy Changes and Electron Affinities from Gas-Phase Electron Transfer Equilibria: A- + B = A + B-,
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Caldwell and Kebarle, 1984
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Grabowski, VanDoren, et al., 1984
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Refaey and Franklin, 1976
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Endoergic ion-molecule-collision processes of negative ions. I. Collision of I- on SO2,
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Hughes, Lifschitz, et al., 1973
Hughes, B.M.; Lifschitz, C.; Tiernan, T.O.,
Electron affinities from endothermic negative-ion charge-transfer reactions. III. NO, NO2, S2, CS2, Cl2, Br2, I2, and C2H,
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Feldman, 1970
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Photoablosung von Elektronen bei einigen Stabilen Negativen Ionen,
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Kraus, Muller-Duysing, et al., 1961
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Rothe, Tang, et al., 1975
Rothe, E.W.; Tang, S.Y.; Reck, G.P.,
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Proton affinity of cyanogen and association reactions of C2N2H+ and C2N2CH3+,
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Snow and Thomas, 1990
Snow, K.B.; Thomas, T.F.,
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Wang, Lee, et al., 1987
Wang, L.; Lee, Y.T.; Shirley, D.A.,
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Orient and Srivastava, 1984
Orient, O.J.; Srivastava, S.K.,
Mass spectrometric determination of partial and total electron impact ionization cross sections of SO2 from threshold up to 200 eV,
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Smith and Stevenson, 1981
Smith, O.I.; Stevenson, J.S.,
Determination of cross sections for formation of parent and fragment ions by electron impact from SO2 and SO3,
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Lloyd and Roberts, 1973
Lloyd, D.R.; Roberts, P.J.,
The assignment of the photoelectron spectrum of sulphur dioxide,
Mol. Phys., 1973, 26, 225. [all data]
Bock, Solouki, et al., 1973
Bock, H.; Solouki, B.; Rosmus, P.; Steudel, R.,
Photoelectron spectra and molecular properties: SSO and OSO,
Angew. Chem. Int. Ed. Engl., 1973, 12, 933. [all data]
Eland and Danby, 1968
Eland, J.H.D.; Danby, C.J.,
Photoelectron spectra and ionic structure of carbon dioxide, carbon disulphide and sulphur dioxide,
Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 111. [all data]
Dibeler and Liston, 1968
Dibeler, V.H.; Liston, S.K.,
Mass-spectrometric study of photoionization. XI.Hydrogen sulfide and sulfur dioxide,
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Golomb, Watanabe, et al., 1962
Golomb, D.; Watanabe, K.; Marmo, F.F.,
Absorption coefficients of sulfur dioxide in the vacuum ultraviolet,
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Watanabe, 1957
Watanabe, K.,
Ionization potentials of some molecules,
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Kimura, Katsumata, et al., 1981
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Kroner, Strack, et al., 1973
Kroner, J.; Strack, W.; Holsboer, F.; Kosbahn, W.,
Zur elektronenstruktur der thiokumulene,
Z. Naturforsch. B:, 1973, 28, 188. [all data]
Chadwick, Frost, et al., 1973
Chadwick, D.; Frost, D.C.; Herring, F.G.; Katrib, A.; McDowell, C.A.; McLean, R.A.N.,
Photoelectron spectra of sulfuryl and thionyl halides,
Can. J. Chem., 1973, 51, 1893. [all data]
Reese, Dibeter, et al., 1958
Reese, R.M.; Dibeter, V.H.; Franklin, J.L.,
Electron impact studies of sulfur dioxide and sulfuryl fluoride,
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Weiss, Hsieh, et al., 1979
Weiss, M.J.; Hsieh, T.-C.; Meisels, G.G.,
Fragmentation of SO2+ prepared in state selected vibrational levels,
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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,
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Sheldon, Currie, et al., 1985
Sheldon, J.C.; Currie, G.J.; Lahnstein, J.; Hayes, R.N.; Bowie, J.H.,
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Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr.,
Thermochemical data on Ggs-phase ion-molecule association and clustering reactions,
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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,
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Puckett and Teague, 1971
Puckett, L.J.; Teague, M.W.,
Ion-Molecule Reactions in NO - NH3 Gas Mixtures,
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Hiller and Vestal, 1980
Hiller, J.F.; Vestal, M.L.,
Tandem quadrupole study of laser photodissociation of CO3-,
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Erickson and Ng, 1981
Erickson, J.; Ng, C.Y.,
Molecular Beam Photoionization Study of SO2 and (SO2)2,
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. [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-,
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Conway and Janik, 1970
Conway, D.C.; Janik, G.S.,
Determination of the Bond Energies for the Series O2 - O2+ through O2 - O10+,
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. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy Ptriple Triple point pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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