Hydrogen sulfide

• Formula: H₂S
• Molecular weight: 34.081
• IUPAC Standard InChI: InChI=1S/H2S/h1H2 Copy

  
• IUPAC Standard InChIKey: RWSOTUBLDIXVET-UHFFFAOYSA-N Copy
• 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
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • Henry's Law data
  • Fluid Properties
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Reaction thermochemistry data

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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^- +  =

By formula: HS^- + H⁺ = H₂S

 +  = ( • )

By formula: F^- + H₂S = (F^- • H₂S)

Bond type: Hydrogen bond (negative ion to hydride)

H₃S⁺ +  = (H₃S⁺ • )

By formula: H₃S⁺ + H₂S = (H₃S⁺ • H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

CN^- +  = (CN^- • )

By formula: CN^- + H₂S = (CN^- • H₂S)

(H₃S⁺ • 3) +  = (H₃S⁺ • 4)

By formula: (H₃S⁺ • 3H₂S) + H₂S = (H₃S⁺ • 4H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

(H₃S⁺ • 2) +  = (H₃S⁺ • 3)

By formula: (H₃S⁺ • 2H₂S) + H₂S = (H₃S⁺ • 3H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

(H₃S⁺ • ) +  = (H₃S⁺ •  • )

By formula: (H₃S⁺ • H₂S) + H₂O = (H₃S⁺ • H₂O • H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

(H₃S⁺ • ) +  = (H₃S⁺ • 2)

By formula: (H₃S⁺ • H₂S) + H₂S = (H₃S⁺ • 2H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

(H₃S⁺ • 4) +  = (H₃S⁺ • 5)

By formula: (H₃S⁺ • 4H₂S) + H₂S = (H₃S⁺ • 5H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

CH₆N⁺ +  = (CH₆N⁺ • )

By formula: CH₆N⁺ + H₂S = (CH₆N⁺ • H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

HS^- +  = (HS^- • )

By formula: HS^- + H₂S = (HS^- • H₂S)

 +  = ( • )

By formula: H₄N⁺ + H₂S = (H₄N⁺ • H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

C₃H₇⁺ +  = (C₃H₇⁺ • )

By formula: C₃H₇⁺ + H₂S = (C₃H₇⁺ • H₂S)

 +  =  + 

By formula: COS + H₂O = CO₂ + H₂S

(H₂S⁺ • ) +  = (H₂S⁺ • 2)

By formula: (H₂S⁺ • H₂S) + H₂S = (H₂S⁺ • 2H₂S)

 +  = ( • )

By formula: I^- + H₂S = (I^- • H₂S)

Bond type: Hydrogen bond (negative ion to hydride)

H₂S⁺ +  = (H₂S⁺ • )

By formula: H₂S⁺ + H₂S = (H₂S⁺ • H₂S)

 +  =  + 

By formula: C₂H₄OS + H₂O = C₂H₄O₂ + H₂S

F₅S^- +  = (F₅S^- • )

By formula: F₅S^- + H₂S = (F₅S^- • H₂S)

(H₂S⁺ • 2) +  = (H₂S⁺ • 3)

By formula: (H₂S⁺ • 2H₂S) + H₂S = (H₂S⁺ • 3H₂S)

(H₂S⁺ • 3) +  = (H₂S⁺ • 4)

By formula: (H₂S⁺ • 3H₂S) + H₂S = (H₂S⁺ • 4H₂S)

(H₂S⁺ • 4) +  = (H₂S⁺ • 5)

By formula: (H₂S⁺ • 4H₂S) + H₂S = (H₂S⁺ • 5H₂S)

=  + 

By formula: CH₂S₃ = CS₂ + H₂S

 +  = H₂NOS^-

By formula: NO^- + H₂S = H₂NOS^-

Gas phase ion energetics data

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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)

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

HS^- +  =

By formula: HS^- + H⁺ = H₂S

Ion clustering data

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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

CH₆N⁺ +  = (CH₆N⁺ • )

By formula: CH₆N⁺ + H₂S = (CH₆N⁺ • H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

CN^- +  = (CN^- • )

By formula: CN^- + H₂S = (CN^- • H₂S)

C₃H₇⁺ +  = (C₃H₇⁺ • )

By formula: C₃H₇⁺ + H₂S = (C₃H₇⁺ • H₂S)

 +  = ( • )

By formula: F^- + H₂S = (F^- • H₂S)

Bond type: Hydrogen bond (negative ion to hydride)

F₅S^- +  = (F₅S^- • )

By formula: F₅S^- + H₂S = (F₅S^- • H₂S)

HS^- +  = (HS^- • )

By formula: HS^- + H₂S = (HS^- • H₂S)

H₂S⁺ +  = (H₂S⁺ • )

By formula: H₂S⁺ + H₂S = (H₂S⁺ • H₂S)

(H₂S⁺ • ) +  = (H₂S⁺ • 2)

By formula: (H₂S⁺ • H₂S) + H₂S = (H₂S⁺ • 2H₂S)

(H₂S⁺ • 2) +  = (H₂S⁺ • 3)

By formula: (H₂S⁺ • 2H₂S) + H₂S = (H₂S⁺ • 3H₂S)

(H₂S⁺ • 3) +  = (H₂S⁺ • 4)

By formula: (H₂S⁺ • 3H₂S) + H₂S = (H₂S⁺ • 4H₂S)

(H₂S⁺ • 4) +  = (H₂S⁺ • 5)

By formula: (H₂S⁺ • 4H₂S) + H₂S = (H₂S⁺ • 5H₂S)

H₃S⁺ +  = (H₃S⁺ • )

By formula: H₃S⁺ + H₂S = (H₃S⁺ • H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

(H₃S⁺ • ) +  = (H₃S⁺ • 2)

By formula: (H₃S⁺ • H₂S) + H₂S = (H₃S⁺ • 2H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

(H₃S⁺ • 2) +  = (H₃S⁺ • 3)

By formula: (H₃S⁺ • 2H₂S) + H₂S = (H₃S⁺ • 3H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

(H₃S⁺ • 3) +  = (H₃S⁺ • 4)

By formula: (H₃S⁺ • 3H₂S) + H₂S = (H₃S⁺ • 4H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

(H₃S⁺ • 4) +  = (H₃S⁺ • 5)

By formula: (H₃S⁺ • 4H₂S) + H₂S = (H₃S⁺ • 5H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

 +  = ( • )

By formula: H₄N⁺ + H₂S = (H₄N⁺ • H₂S)

Bond type: Hydrogen bond (positive ion to hydride)

 +  = ( • )

By formula: I^- + H₂S = (I^- • H₂S)

Bond type: Hydrogen bond (negative ion to hydride)

 +  = H₂NOS^-

By formula: NO^- + H₂S = H₂NOS^-

IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Coblentz Society, Inc.

Gas Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

Vibrational and/or electronic energy levels

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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:   C_2ν     Symmetry Number σ = 2

Source: Shimanouchi, 1972

Notes

Gas Chromatography

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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

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Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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]

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]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study, J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034 . [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Hiraoka and Kebarle, 1977
Hiraoka, K.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Proton in Hydrogen Sulfide and Hydrogen Sulfide - Water Mixtures. Stabilities of the Hydrogen Bonded Complexes H+(H2S)x(H2O)y, Can. J. Chem., 1977, 55, 1, 24, https://doi.org/10.1139/v77-005 . [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., Photoionization study of (H₂S)₂ and (H₂S)₃, J. Am. Chem. Soc., 1983, 105, 7531. [all data]

Meot-Ner (Mautner) and Field, 1977
Meot-Ner (Mautner), M.; Field, F.H., Stability, Association and Dissociation in the Cluster Ions H3S+.nH2S, H3O+.nH2O and H3O+.H2O, J. Am. Chem. Soc., 1977, 99, 4, 998, https://doi.org/10.1021/ja00446a004 . [all data]

Meot-ner, 1988
Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. ₆. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH₃COO^- with Cl^-, CN^-, and SH^-, J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022 . [all data]

Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids, J. Am. Chem. Soc., 1987, 109, 6230. [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO₂-, NO₃-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]

Cunningham, Payzant, et al., 1972
Cunningham, A.J.; Payzant, J.D.; Kebarle, P., A Kinetic Study of the Proton Hydrate H+(H2O)n Equilibria in the Gas Phase, J. Am. Chem. Soc., 1972, 94, 22, 7627, https://doi.org/10.1021/ja00777a003 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Meot-Ner (Mautner) and Sieck, 1985
Meot-Ner (Mautner), M.; Sieck, L.W., The Ionic Hydrogen Bond and Ion Solvation. 4. SH+ O and NH+ S Bonds. Correlations with Proton Affinity. Mutual Effects of Weak and Strong Ligands in Mixed Clusters, J. Phys. Chem., 1985, 89, 24, 5222, https://doi.org/10.1021/j100270a021 . [all data]

Meot-Ner (Mautner) and Sieck, 1991
Meot-Ner (Mautner), M.; Sieck, L.W., Proton affinity ladders from variable-temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range, J. Am. Chem. Soc., 1991, 113, 12, 4448, https://doi.org/10.1021/ja00012a012 . [all data]

Terres and Wesemann, 1932
Terres, E.; Wesemann, H., Uber Gleichgewichtsmessungen der teilreaktionen bei der umsetzung von scnwefelkohlenstoff mit wasserdampf im temperaturgebiet von 350° bis 900° C, Angew. Chem., 1932, 45, 795-832. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]

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Sunner, S.; Wadso, I., The heat of hydrolysis of thiolacetic acid, Trans. Faraday Soc., 1957, 53, 455-459. [all data]

Zangerle, Hansel, et al., 1993
Zangerle, R.; Hansel, A.; Richter, R.; Lindinger, W., The Reaction of SF5+ + H2S at Near Thermal Energies: Competition between Association and Binary Reactions, Int. J. Mass Spectrom. Ion Proc., 1993, 129, 117, https://doi.org/10.1016/0168-1176(93)87035-Q . [all data]

Gattow and Krebes, 1963
Gattow, V.G.; Krebes, B., Das kohlenstoffsulfid-di-(hydrogensulfid) SC(SH)₂ und das system H₂S-CS₂. 2. Thermochemie des SC(SH)₂, Z. Anorg. Allg. Chem., 1963, 322, 113. [all data]

Hendricks, de Clercq, et al., 2002
Hendricks, J.H.; de Clercq, H.L.; Freidhoff, C.B.; Arnold, S.T.; Eaton, J.G.; Fancher, C.; Lyapustina, S.A.; S., Anion solvation at the microscopic level: Photoelectron spectroscopy of the solvated anion clusters, NO-(Y)(n), where Y=Ar, Kr, Xe, N2O, H2S, NH3, H2O, and C2H4(OH)(2), J. Chem. Phys., 2002, 116, 18, 7926-7938, https://doi.org/10.1063/1.1457444 . [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]

Prest, Tzeng, et al., 1983, 2
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]

Smith, Adams, et al., 1981
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Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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)
  T	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

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