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, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Gas Chromatography, 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.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
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 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, Gas Chromatography, 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 | 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° | 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 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Gas Chromatography, 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 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | PONA | 340. | Yang, Wang, et al., 2004 | 50. m/0.20 mm/0.50 μm, N2, 2. K/min; Tstart: 35. C; Tend: 170. C |
Capillary | PONA | 338. | Yang, Wang, et al., 2003 | 50. m/0.20 mm/0.50 μm, 2. K/min; Tstart: 30. C; Tend: 150. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | PONA | 338. | Yang, Wang, et al., 2003 | 50. m/0.20 mm/0.50 μm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | TC-Wax | 480. | Ishizaki, Tachihara, et al., 2005 | 60. m/0.25 mm/0.25 μm, N2, 3. K/min, 220. C @ 40. min; Tstart: 70. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | TC-Wax | 480. | Kraft and Switt, 2005 | Program: not specified |
Capillary | TC-Wax | 480. | Tachihara, Ishizaki, et al., 2004 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
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]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Yang, Wang, et al., 2004
Yang, Y.; Wang, Z.; Zong, B.; Yang, H.,
Determination of sulfur compounds in fluid catalytic cracking gasoline by gas chromatography with a sulfur chemiluminiscence detector,
Chin. J. Chromatogr., 2004, 22, 3, 216-219. [all data]
Yang, Wang, et al., 2003
Yang, Y.-T.; Wang, Z.; Han. J.-H.; Tian, H.-P.; Yang, H.-Y.,
Determination of sulfur compounds in gasoline fraction of microreactor products by gas chromatography - Atomic emission detector,
Petrochemical Technology (Shiyou Huagong), 2003, 32, 11, 995-998. [all data]
Ishizaki, Tachihara, et al., 2005
Ishizaki, S.; Tachihara, T.; Tamura, H.; Yanai, T.; Kitahara, T.,
Evaluation of odour-active compounds in roasted shrimp (Sergia lucens Hansen) by aroma extract dilution analysis,
Flavour Fragr. J., 2005, 20, 6, 562-566, https://doi.org/10.1002/ffj.1484
. [all data]
Kraft and Switt, 2005
Kraft, P.; Switt, K.A.D. (Eds),
Perspectives in Flavor and Fragrance Research, Wiley-VCH, Weinheim, Germany, 2005, 251. [all data]
Tachihara, Ishizaki, et al., 2004
Tachihara, T.; Ishizaki, S.; Ishikawa, M.; Kitahara, T.,
Studies on the volatile compounds of roasted spotted shrimp,
Chemistry Biodiversity, 2004, 1, 12, 2024-2033, https://doi.org/10.1002/cbdv.200490155
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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