Hydrogen sulfide
- Formula: H2S
- Molecular weight: 34.081
- IUPAC Standard InChI: InChI=1S/H2S/h1H2
- 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 ion energetics data
Go To: Top, 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) | 168. | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 161.0 | kcal/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 | 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 | 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° | 351.4 ± 0.7 | kcal/mol | AVG | N/A | Average of 6 out of 7 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 344.4 ± 3.0 | kcal/mol | H-TS | Rempala and Ervin, 2000 | gas phase; B |
| ΔrG° | 344.8 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
| ΔrG° | 344.90 ± 0.10 | kcal/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° | 345.6 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
| ΔrG° | 342.30 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; MnO2-(t); ; ΔS(EA)=5.4; B |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Walters and Blais, 1984
Walters, E.A.; Blais, N.C.,
Molecular beam photoionization and fragmentation of D2S, (H2S)2, (D2S)2, and H2S.H2O,
J. Chem. Phys., 1984, 80, 3501. [all data]
Prest, Tzeng, et al., 1983
Prest, H.F.; Tzeng, W.-B.; Brom, J.M., Jr.; Ng, C.Y.,
Molecular beam photoionization study of H2S,
Int. J. Mass Spectrom. Ion Processes, 1983, 50, 315. [all data]
Walters and Blais, 1981
Walters, E.A.; Blais, N.C.,
Molecular beam photoionization of (H2S)n,n = 1 - 7,
J. Chem. Phys., 1981, 75, 4208. [all data]
Smith, Adams, et al., 1981
Smith, D.; Adams, N.G.; Lindinger, W.,
Reactions of the HnS ions (n = 0 to 3) with several molecular gases at thermal energies,
J. Chem. Phys., 1981, 75, 3365. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Karlsson, Mattsson, et al., 1976
Karlsson, L.; Mattsson, L.; Jadrny, R.; Bergmark, T.; Siegbahn, K.,
Vibrational ans vibronic structure in the valence electron spectrum of H2S,
Phys. Scr., 1976, 13, 229. [all data]
Balkis, Gaines, et al., 1976
Balkis, T.; Gaines, A.F.; Ozgen, G.; Ozgen, I.T.; Flowers, M.C.,
Ionization of hydrogen sul- phide, selenide and telluride by electron impact,
J. Chem. Soc. Faraday Trans. 2, 1976, 72, 524. [all data]
Rabalais, Debies, et al., 1974
Rabalais, J.W.; Debies, T.P.; Berkosky, J.L.; Huang, J.-T.J.; Ellison, F.O.,
Calculated photoionization cross sections relative experimental photoionization intensities for a selection of small molecules,
J. Chem. Phys., 1974, 61, 516. [all data]
Natalis, 1973
Natalis, P.,
Contribution a la spectroscopie photoelectronique. Effets de l'autoionisation dans less spectres photoelectroniques de molecules diatomiques et triatomiques,
Acad. R. Belg. Mem. Cl. Sci. Collect. 8, 1973, 41, 1. [all data]
Morrison and Traeger, 1973
Morrison, J.D.; Traeger, J.C.,
Ionization and dissociation by electron impact. I. H2O and H2S,
Int. J. Mass Spectrom. Ion Phys., 1973, 11, 77. [all data]
Potts and Price, 1972
Potts, A.W.; Price, W.C.,
Photoelectron spectra and valence shell orbital structures of groups V VI hydrides,
Proc. R. Soc. London A:, 1972, 326, 181. [all data]
Delwiche and Natalis, 1970
Delwiche, J.; Natalis, P.,
Photoelectron spectrometry of hydrogen sulfide,
Chem. Phys. Lett., 1970, 5, 564. [all data]
Delwiche, Natalis, et al., 1970
Delwiche, J.; Natalis, P.; Collin, J.E.,
High resolution photoelectron spectrometry of H2S and H2Se,
Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 443. [all data]
Dibeler and Liston, 1968
Dibeler, V.H.; Liston, S.K.,
Mass-spectrometric study of photoionization. XI.Hydrogen sulfide and sulfur dioxide,
J. Chem. Phys., 1968, 49, 482. [all data]
Al-Joboury and Turner, 1964
Al-Joboury, M.I.; Turner, D.W.,
Molecular photoelectron spectroscopy. Part II. A summary of ionization potentials,
J. Chem. Soc., 1964, 4434. [all data]
Frost and McDowell, 1958
Frost, D.C.; McDowell, C.A.,
Excited states of the molecular ions of hydrogen fluoride, hydrogen iodide, water, hydrogen sulphide, and ammonia,
Can. J. Chem., 1958, 36, 39. [all data]
Watanabe, 1954
Watanabe, K.,
Photoionization and total absorption cross section of gases. I. Ionization potentials of several molecules. Cross sections of NH3 and NO,
J. Chem. Phys., 1954, 22, 1564. [all data]
Price, 1935
Price, W.C.,
The far ultraviolet absorption spectra and ionization potentials of H2S, CS2, and SO2,
Bull. Am. Phys. Soc., 1935, 10, 9. [all data]
Bieri, Asbrink, et al., 1982
Bieri, G.; Asbrink, L.; Von Niessen, W.,
30.4-nm He(II) photoelectron spectra of organic molecules,
J. Electron Spectrosc. Relat. Phenom., 1982, 27, 129. [all data]
Wagner and Bock, 1974
Wagner, G.; Bock, H.,
Photoelektronenspektren und molekuleigenschaften, XXVI. Die delokalisation von schwefel-elektronenpaaren in alkylsulfiden und -disulfiden,
Chem. Ber., 1974, 107, 68. [all data]
Schweig and Thiel, 1974
Schweig, A.; Thiel, W.,
Photoionization cross sections: He I- and He II-photoelectron spectra of homologous oxygen and sulphur compounds,
Mol. Phys., 1974, 27, 265. [all data]
Bock, Wagner, et al., 1972
Bock, H.; Wagner, G.; Kroner, J.,
Photoelektronenspektren und molekuleigenschaften, XIV. Die delokalisation des schwefel-elektronenpaar in CH3S-substituierten aromaten,
Chem. Ber., 1972, 105, 3850. [all data]
Palmer and Lossing, 1962
Palmer, T.F.; Lossing, F.P.,
Free radicals by mass spectrometry. XXVIII. The HS, CH3S, and phenyl-S radicals: ionization potentials and heats of formation,
J. Am. Chem. Soc., 1962, 84, 4661. [all data]
Eland, 1979
Eland, J.H.D.,
Dissociations of state-selected C2H2+, H2S+ and D2S+ ions studied by photoelectron-photoion coincidence spectroscopy,
Int. J. Mass Spectrom. Ion Phys., 1979, 31, 161. [all data]
Rempala and Ervin, 2000
Rempala, K.; Ervin, K.M.,
Collisional activation of the Endoergic Hydrogen Atom Transfer Reaction S-(2P) + H2 - SH- + H,
J. Chem. Phys., 2000, 112, 10, 4579, https://doi.org/10.1063/1.481016
. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Shiell, Hu, et al., 1900
Shiell, R.C.; Hu, X.K.; Hu, Q.J.; Hepburn, J.W.,
A determination of the bond dissociation energy (D-0(H-SH)): Threshold ion-pair production spectroscopy (TIPPS) of a triatomic molecule,
J. Phys. Chem. A, 1900, 104, 19, 4339-4342, https://doi.org/10.1021/jp000025k
. [all data]
Gurvich, Veyts, et al.
Gurvich, L.V.; Veyts, I.V.; Alcock, C.B.,
Hemisphere Publishing, NY, 1989, V. 1 2, Thermodynamic Properties of Individual Substances, 4th Ed. [all data]
Breyer, Frey, et al., 1981
Breyer, F.; Frey, P.; Hotop, H.,
High Resolution Photoelectron Spectrometry of Negative Ions: Rotational Transitions in Laser-Photodetachment of OH-, SH-, and SD-,
Z. Phys. A, 1981, 300, 1, 7, https://doi.org/10.1007/BF01412609
. [all data]
Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P.,
Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A),
Can. J. Chem., 1978, 56, 1. [all data]
Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S.,
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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