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Hydrogen sulfide

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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 ± 0.012eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)168.kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity161.0kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.453 ± 0.008PIWalters and Blais, 1984LBLHLM
10.4607 ± 0.0026PIPrest, Tzeng, et al., 1983LBLHLM
10.449 ± 0.006PIWalters and Blais, 1981LLK
10. ± 4.ENDSmith, Adams, et al., 1981LLK
10.48PEKimura, Katsumata, et al., 1981LLK
10.466 ± 0.002SKarlsson, Mattsson, et al., 1976LLK
10.56 ± 0.05EIBalkis, Gaines, et al., 1976LLK
10.5PIRabalais, Debies, et al., 1974LLK
10.43PENatalis, 1973LLK
10.45EIMorrison and Traeger, 1973LLK
10.47PEPotts and Price, 1972LLK
10.43PEDelwiche and Natalis, 1970RDSH
12.76PEDelwiche and Natalis, 1970RDSH
14.91PEDelwiche and Natalis, 1970RDSH
20.8PEDelwiche and Natalis, 1970RDSH
18.0PEDelwiche and Natalis, 1970RDSH
12.81PEDelwiche, Natalis, et al., 1970RDSH
14.79PEDelwiche, Natalis, et al., 1970RDSH
10.43 ± 0.01PIDibeler and Liston, 1968RDSH
10.42PEAl-Joboury and Turner, 1964RDSH
12.62PEAl-Joboury and Turner, 1964RDSH
14.82PEAl-Joboury and Turner, 1964RDSH
18.00PEAl-Joboury and Turner, 1964RDSH
20.12PEAl-Joboury and Turner, 1964RDSH
10.45 ± 0.03EIFrost and McDowell, 1958RDSH
10.46 ± 0.01PIWatanabe, 1954RDSH
10.47 ± 0.01SPrice, 1935RDSH
10.5PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM
10.43PEWagner and Bock, 1974Vertical value; LLK
10.47PESchweig and Thiel, 1974Vertical value; LLK
10.48PEBock, Wagner, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
HS+14.300 ± 0.024HPIPrest, Tzeng, et al., 1983LBLHLM
HS+14.7 ± 0.2HEIBalkis, Gaines, et al., 1976LLK
HS+14.4HEIMorrison and Traeger, 1973LLK
HS+14.27 ± 0.02HPIDibeler and Liston, 1968RDSH
HS+14.4 ± 0.1HEIPalmer and Lossing, 1962RDSH
S+13.375 ± 0.022H2PIPrest, Tzeng, et al., 1983LBLHLM
S+13.41H2PIPECOEland, 1979LLK
S+13.5H2EIMorrison and Traeger, 1973LLK
S+13.36 ± 0.01H2PIDibeler and Liston, 1968RDSH
S+13.40 ± 0.01H2PIDibeler and Liston, 1968RDSH

De-protonation reactions

HS- + Hydrogen cation = Hydrogen sulfide

By formula: HS- + H+ = H2S

Quantity Value Units Method Reference Comment
Deltar351.4 ± 0.7kcal/molAVGN/AAverage of 6 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar344.4 ± 3.0kcal/molH-TSRempala and Ervin, 2000gas phase; B
Deltar344.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar344.90 ± 0.10kcal/molH-TSShiell, Hu, et al., 1900gas 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
Deltar345.6 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; B
Deltar342.30kcal/molN/ACheck, Faust, et al., 2001gas phase; MnO2-(t); ; «DELTA»S(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