Hydrogen sulfide
- Formula: H2S
- Molecular weight: 34.081
- IUPAC Standard InChIKey: RWSOTUBLDIXVET-UHFFFAOYSA-N
- CAS Registry Number: 7783-06-4
- 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: Dihydrogen monosulfide; Dihydrogen sulfide; Hydrosulfuric acid; Stink damp; Sulfur hydride; Sulfureted hydrogen; H2S; Sulfuretted hydrogen; Hydrogen sulphide; Hydrogen sulfide (H2S); Acide sulfhydrique; Hydrogene sulfure; Idrogeno solforato; Rcra waste number U135; Schwefelwasserstoff; Siarkowodor; UN 1053; Zwavelwaterstof; Hepatic gas; Hepatic acid; Hydrogen monosulfide; Sewer gas
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, 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 | -20.6 ± 0.5 | kJ/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | -20.50 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1977 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 205.81 ± 0.05 | J/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 205.77 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1977 |
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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1400. | 1400. to 6000. |
---|---|---|
A | 26.88412 | 51.22136 |
B | 18.67809 | 4.147486 |
C | 3.434203 | -0.643566 |
D | -3.378702 | 0.041621 |
E | 0.135882 | -10.46385 |
F | -28.91211 | -55.87606 |
G | 233.3747 | 243.6900 |
H | -20.50202 | -20.50202 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1977 | Data last reviewed in June, 1977 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, 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 |
---|---|---|---|---|---|
Tboil | 212.87 | K | N/A | Goodwin, 1983 | Uncertainty assigned by TRC = 0.07 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 190.85 | K | N/A | Beckmann and Waentig, 1910 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 187.66 | K | N/A | Goodwin, 1983 | Uncertainty assigned by TRC = 0.06 K; TRC |
Ttriple | 187.61 | K | N/A | Giauque and Blue, 1936 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.03 K; temp. scale for transition tempertures, T0 = 273.10 K Nature of transition C2 - C1 not definitely established; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 0.232 | bar | N/A | Goodwin, 1983 | Uncertainty assigned by TRC = 0.005 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 373.3 | K | N/A | Cubitt, Henderson, et al., 1987 | Uncertainty assigned by TRC = 0.37 K; Tc from H.Kopper, 1936-450; TRC |
Tc | 373.4 | K | N/A | Goodwin, 1983 | Uncertainty assigned by TRC = 0.15 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 89.70 | bar | N/A | Cubitt, Henderson, et al., 1987 | Uncertainty assigned by TRC = 0.18 bar; from VP equation fitted to lit. values of vapour pressure; TRC |
Pc | 89.6291 | bar | N/A | Goodwin, 1983 | Uncertainty assigned by TRC = 0.30 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 10.2 | mol/l | N/A | Goodwin, 1983 | Uncertainty assigned by TRC = 0.1 mol/l; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
19.5 | 200. | Dykyj, Svoboda, et al., 1999 | Based on data from 185. to 228. K.; AC |
18.6 | 243. | Dykyj, Svoboda, et al., 1999 | Based on data from 228. to 363. K.; AC |
21.9 | 200. | Giauque and Blue, 1936, 2 | Based on data from 187. to 213. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
138.8 to 212.8 | 4.43681 | 829.439 | -25.412 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
212.8 to 349.5 | 4.52887 | 958.587 | -0.539 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
22.5 | 135. | MG | Clark, Cockett, et al., 1951 | Based on data from 128. to 142. K.; AC |
25.4 | 175. | N/A | Giauque and Blue, 1936, 2 | Based on data from 164. to 187. K.; AC |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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.
Individual Reactions
HS- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1470. ± 3. | kJ/mol | AVG | N/A | Average of 6 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1441. ± 13. | kJ/mol | H-TS | Rempala and Ervin, 2000 | gas phase; B |
ΔrG° | 1443. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 1443.1 ± 0.42 | kJ/mol | H-TS | Shiell, Hu, et al., 1900 | gas phase; 0K:350.125±0.009 kcal/mol, corr to 298K from Gurvich, Veyts, et al., With EA( Breyer, Frey, et al., 1981)BDE(0K)=89.97±0.05; B |
ΔrG° | 1446. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
ΔrG° | 1432.2 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; MnO2-(t); ; ΔS(EA)=5.4; B |
By formula: F- + H2S = (F- • H2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 145. ± 8.4 | kJ/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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 78.7 | J/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° | 121. ± 8.4 | kJ/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: H3S+ + H2S = (H3S+ • H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 64.4 | kJ/mol | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrH° | 45.2 | kJ/mol | PI | Walters and Blais, 1984 | gas phase; M |
ΔrH° | 44.4 | kJ/mol | PI | Prest, Tzeng, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 102. | J/mol*K | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrS° | 74.5 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable; M |
ΔrS° | 78.2 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: CN- + H2S = (CN- • H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 79.1 ± 4.2 | kJ/mol | TDEq | Meot-ner, 1988 | gas phase; B |
ΔrH° | 83. ± 15. | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 99.6 | J/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 54.0 ± 4.2 | kJ/mol | TDEq | Meot-ner, 1988 | gas phase; B |
ΔrG° | 51.9 ± 9.6 | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
By formula: (H3S+ • 3H2S) + H2S = (H3S+ • 4H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrH° | 10. | kJ/mol | PI | Walters and Blais, 1984 | gas phase; M |
ΔrH° | 14. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrS° | 42. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable; M |
By formula: (H3S+ • 2H2S) + H2S = (H3S+ • 3H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18. | kJ/mol | PI | Walters and Blais, 1984 | gas phase; M |
ΔrH° | 35. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrH° | 23. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrS° | 59. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable; M |
By formula: (H3S+ • H2S) + H2O = (H3S+ • H2O • H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 79.9 | kJ/mol | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; From thermochemical cycle,switching reaction(H3S+ H2O)H2O; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 91.2 | J/mol*K | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; From thermochemical cycle,switching reaction(H3S+ H2O)H2O; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M |
By formula: (H3S+ • H2S) + H2S = (H3S+ • 2H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrH° | 25. | kJ/mol | PI | Walters and Blais, 1984 | gas phase; M |
ΔrH° | 30. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 87.4 | J/mol*K | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrS° | 72.4 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: (H3S+ • 4H2S) + H2S = (H3S+ • 5H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.1 | 185. | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
By formula: CH6N+ + H2S = (CH6N+ • H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.2 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23. | 270. | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: HS- + H2S = (HS- • H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 55.2 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 82.4 | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 31. ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B |
By formula: H4N+ + H2S = (H4N+ • H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.7 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 69.9 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: C3H7+ + H2S = (C3H7+ • H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 134. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 146. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
By formula: COS + H2O = CO2 + H2S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -33.4 ± 0.96 | kJ/mol | Eqk | Terres and Wesemann, 1932 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -35.66 kJ/mol; ALS |
By formula: (H2S+ • H2S) + H2S = (H2S+ • 2H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18. | kJ/mol | PI | Prest, Tzeng, et al., 1983 | gas phase; M |
ΔrH° | 13. | kJ/mol | PI | Walters and Blais, 1981 | gas phase; M |
By formula: I- + H2S = (I- • H2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37. ± 4.2 | kJ/mol | TDAs | Caldwell, Masucci, et al., 1989 | gas phase; B,M |
By formula: H2S+ + H2S = (H2S+ • H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 88.7 | kJ/mol | PI | Prest, Tzeng, et al., 1983 | gas phase; M |
ΔrH° | 71.1 | kJ/mol | PI | Walters and Blais, 1981 | gas phase; M |
By formula: C2H4OS + H2O = C2H4O2 + H2S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.7 ± 0.3 | kJ/mol | Cm | Sunner and Wadso, 1957 | liquid phase; Heat of hydrolysis; ALS |
By formula: F5S- + H2S = (F5S- • H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 212. ± 48. | kJ/mol | SIFT | Zangerle, Hansel, et al., 1993 | gas phase; CID with Ar; M |
By formula: (H2S+ • 2H2S) + H2S = (H2S+ • 3H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.0 | kJ/mol | PI | Walters and Blais, 1981 | gas phase; M |
By formula: (H2S+ • 3H2S) + H2S = (H2S+ • 4H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.9 | kJ/mol | PI | Walters and Blais, 1981 | gas phase; M |
By formula: (H2S+ • 4H2S) + H2S = (H2S+ • 5H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11. | kJ/mol | PI | Walters and Blais, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44. ± 1. | kJ/mol | Cm | Gattow and Krebes, 1963 | liquid phase; ALS |
+ = H2NOS-
By formula: NO- + H2S = H2NOS-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.4 | kJ/mol | N/A | Hendricks, de Clercq, et al., 2002 | gas phase; B |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, 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 |
---|---|---|---|---|
0.087 | 2100. | M | N/A | |
0.10 | 2000. | L | N/A | |
0.10 | 2300. | 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. |
0.10 | 2200. | L | N/A | |
0.097 | 2200. | X | N/A | |
0.10 | 2100. | L | N/A | |
0.10 | 2100. | L | N/A | |
0.10 | R | N/A | ||
0.0010 | 2300. | X | N/A | The value is taken from the compilation of solubilities by W. Asman (unpublished). |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, Vibrational and/or electronic energy levels, 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:
B - John E. Bartmess
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
View reactions leading to H2S+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.457 ± 0.012 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 705. | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 673.8 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
HS+ | 14.300 ± 0.024 | H | PI | Prest, Tzeng, et al., 1983, 2 | LBLHLM |
HS+ | 14.7 ± 0.2 | H | EI | Balkis, Gaines, et al., 1976 | LLK |
HS+ | 14.4 | H | EI | Morrison and Traeger, 1973 | LLK |
HS+ | 14.27 ± 0.02 | H | PI | Dibeler and Liston, 1968 | RDSH |
HS+ | 14.4 ± 0.1 | H | EI | Palmer and Lossing, 1962 | RDSH |
S+ | 13.375 ± 0.022 | H2 | PI | Prest, Tzeng, et al., 1983, 2 | LBLHLM |
S+ | 13.41 | H2 | PIPECO | Eland, 1979 | LLK |
S+ | 13.5 | H2 | EI | Morrison and Traeger, 1973 | LLK |
S+ | 13.36 ± 0.01 | H2 | PI | Dibeler and Liston, 1968 | RDSH |
S+ | 13.40 ± 0.01 | H2 | PI | Dibeler and Liston, 1968 | RDSH |
De-protonation reactions
HS- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1470. ± 3. | kJ/mol | AVG | N/A | Average of 6 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1441. ± 13. | kJ/mol | H-TS | Rempala and Ervin, 2000 | gas phase; B |
ΔrG° | 1443. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 1443.1 ± 0.42 | kJ/mol | H-TS | Shiell, Hu, et al., 1900 | gas phase; 0K:350.125±0.009 kcal/mol, corr to 298K from Gurvich, Veyts, et al., With EA( Breyer, Frey, et al., 1981)BDE(0K)=89.97±0.05; B |
ΔrG° | 1446. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
ΔrG° | 1432.2 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; MnO2-(t); ; ΔS(EA)=5.4; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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: CH6N+ + H2S = (CH6N+ • H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.2 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23. | 270. | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: CN- + H2S = (CN- • H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 79.1 ± 4.2 | kJ/mol | TDEq | Meot-ner, 1988 | gas phase; B |
ΔrH° | 83. ± 15. | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 99.6 | J/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 54.0 ± 4.2 | kJ/mol | TDEq | Meot-ner, 1988 | gas phase; B |
ΔrG° | 51.9 ± 9.6 | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
By formula: C3H7+ + H2S = (C3H7+ • H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 134. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 146. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
By formula: F- + H2S = (F- • H2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 145. ± 8.4 | kJ/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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 78.7 | J/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° | 121. ± 8.4 | kJ/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: F5S- + H2S = (F5S- • H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 212. ± 48. | kJ/mol | SIFT | Zangerle, Hansel, et al., 1993 | gas phase; CID with Ar; M |
By formula: HS- + H2S = (HS- • H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 55.2 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 82.4 | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 31. ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B |
By formula: H2S+ + H2S = (H2S+ • H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 88.7 | kJ/mol | PI | Prest, Tzeng, et al., 1983 | gas phase; M |
ΔrH° | 71.1 | kJ/mol | PI | Walters and Blais, 1981 | gas phase; M |
By formula: (H2S+ • H2S) + H2S = (H2S+ • 2H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18. | kJ/mol | PI | Prest, Tzeng, et al., 1983 | gas phase; M |
ΔrH° | 13. | kJ/mol | PI | Walters and Blais, 1981 | gas phase; M |
By formula: (H2S+ • 2H2S) + H2S = (H2S+ • 3H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.0 | kJ/mol | PI | Walters and Blais, 1981 | gas phase; M |
By formula: (H2S+ • 3H2S) + H2S = (H2S+ • 4H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.9 | kJ/mol | PI | Walters and Blais, 1981 | gas phase; M |
By formula: (H2S+ • 4H2S) + H2S = (H2S+ • 5H2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11. | kJ/mol | PI | Walters and Blais, 1981 | gas phase; M |
By formula: H3S+ + H2S = (H3S+ • H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 64.4 | kJ/mol | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrH° | 45.2 | kJ/mol | PI | Walters and Blais, 1984 | gas phase; M |
ΔrH° | 44.4 | kJ/mol | PI | Prest, Tzeng, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 102. | J/mol*K | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrS° | 74.5 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable; M |
ΔrS° | 78.2 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: (H3S+ • H2S) + H2S = (H3S+ • 2H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrH° | 25. | kJ/mol | PI | Walters and Blais, 1984 | gas phase; M |
ΔrH° | 30. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 87.4 | J/mol*K | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrS° | 72.4 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: (H3S+ • 2H2S) + H2S = (H3S+ • 3H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18. | kJ/mol | PI | Walters and Blais, 1984 | gas phase; M |
ΔrH° | 35. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrH° | 23. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrS° | 59. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable; M |
By formula: (H3S+ • 3H2S) + H2S = (H3S+ • 4H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrH° | 10. | kJ/mol | PI | Walters and Blais, 1984 | gas phase; M |
ΔrH° | 14. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
ΔrS° | 42. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable; M |
By formula: (H3S+ • 4H2S) + H2S = (H3S+ • 5H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.1 | 185. | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
By formula: H4N+ + H2S = (H4N+ • H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.7 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 69.9 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: I- + H2S = (I- • H2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37. ± 4.2 | kJ/mol | TDAs | Caldwell, Masucci, et al., 1989 | gas phase; B,M |
+ = H2NOS-
By formula: NO- + H2S = H2NOS-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.4 | kJ/mol | N/A | Hendricks, de Clercq, et al., 2002 | gas phase; B |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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 by: Takehiko Shimanouchi
Symmetry: C2ν Symmetry Number σ = 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | Sym str | 2615 | A | 2614.6 | gas | ||||
a1 | 2 | Bend | 1183 | A | 1182.7 | gas | ||||
b1 | 3 | Anti str | 2626 | B | 2626 | gas | ||||
Source: Shimanouchi, 1972
Notes
A | 0~1 cm-1 uncertainty |
B | 1~3 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, 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
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- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Pc Critical pressure Ptriple Triple point pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K 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 ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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