HS anion


Reaction thermochemistry data

Go To: Top, Gas phase ion energetics 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Individual Reactions

HS- + Hydrogen cation = Hydrogen sulfide

By formula: HS- + H+ = H2S

Quantity Value Units Method Reference Comment
Δr351.4 ± 0.7kcal/molAVGN/AAverage of 6 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr344.4 ± 3.0kcal/molH-TSRempala and Ervin, 2000gas phase; B
Δr344.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr344.90 ± 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
Δr345.6 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; B
Δr342.30kcal/molN/ACheck, Faust, et al., 2001gas phase; MnO2-(t); ; ΔS(EA)=5.4; B

(HS- • 4294967295sulfur) + sulfur = HS-

By formula: (HS- • 4294967295S) + S = HS-

Quantity Value Units Method Reference Comment
Δr120.13kcal/molN/AChaibi, Delsart, et al., 2006gas phase; For H(32)S-. Given: 2.3147282(17) eV; B
Δr120.18 ± 0.18kcal/molTherBreyer, Frey, et al., 1981gas phase; B
Δr120.4 ± 2.2kcal/molTherBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr85.57kcal/molTherShiell, 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

HS- + Ethanol = (HS- • Ethanol)

By formula: HS- + C2H6O = (HS- • C2H6O)

Quantity Value Units Method Reference Comment
Δr16.30 ± 0.10kcal/molTDAsSieck and Meot-ner, 1989gas phase; B,M
Δr16.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.0cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Δr19.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr10.60 ± 0.40kcal/molTDAsSieck and Meot-ner, 1989gas phase; B
Δr10.3 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

HS- + Water = (HS- • Water)

By formula: HS- + H2O = (HS- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Δr14.2kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr18.7cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Δr18.7cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr8.6 ± 2.0kcal/molTDAsMeot-ner, 1988gas phase; B

(HS- • 2Water) + Water = (HS- • 3Water)

By formula: (HS- • 2H2O) + H2O = (HS- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.7kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Δr11.7kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr23.5cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Δr23.5cal/mol*KPHPMSMeot-ner, 1988gas phase; M

(HS- • Water) + Water = (HS- • 2Water)

By formula: (HS- • H2O) + H2O = (HS- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.6kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Δr12.6kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Δr20.4cal/mol*KPHPMSMeot-ner, 1988gas phase; M

HS- + Hydrogen cyanide = (HS- • Hydrogen cyanide)

By formula: HS- + CHN = (HS- • CHN)

Quantity Value Units Method Reference Comment
Δr21.0 ± 1.0kcal/molIMREMeot-ner, 1988gas phase; See also H2S..CN-; B,M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr15.0 ± 1.0kcal/molIMREMeot-ner, 1988gas phase; See also H2S..CN-; B

HS- + 2-Propanol, 2-methyl- = (HS- • 2-Propanol, 2-methyl-)

By formula: HS- + C4H10O = (HS- • C4H10O)

Quantity Value Units Method Reference Comment
Δr16.80 ± 0.30kcal/molTDAsSieck and Meot-ner, 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.9cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr10.9 ± 1.2kcal/molTDAsSieck and Meot-ner, 1989gas phase; B

HS- + Ethanol, 2,2,2-trifluoro- = (HS- • Ethanol, 2,2,2-trifluoro-)

By formula: HS- + C2H3F3O = (HS- • C2H3F3O)

Quantity Value Units Method Reference Comment
Δr26.80 ± 0.50kcal/molTDAsSieck and Meot-ner, 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.6cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr20.1 ± 1.5kcal/molTDAsSieck and Meot-ner, 1989gas phase; B

HS- + Hydrogen sulfide = (HS- • Hydrogen sulfide)

By formula: HS- + H2S = (HS- • H2S)

Quantity Value Units Method Reference Comment
Δr13.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.7cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr7.3 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

HS- + Pyrrole = (HS- • Pyrrole)

By formula: HS- + C4H5N = (HS- • C4H5N)

Quantity Value Units Method Reference Comment
Δr23.0 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.4cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr15.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

HS- + CH3CONHCH(CH3)COOCH3 = (HS- • CH3CONHCH(CH3)COOCH3)

By formula: HS- + C6H11NO3 = (HS- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr27.5 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr19.2 ± 2.0kcal/molTDAsMeot-ner, 1988gas phase; B

HS- + Methyl Alcohol = (HS- • Methyl Alcohol)

By formula: HS- + CH4O = (HS- • CH4O)

Quantity Value Units Method Reference Comment
Δr17.0 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr11.0 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

HS- + L-Alanine, N-acetyl-, methyl ester = (HS- • L-Alanine, N-acetyl-, methyl ester)

By formula: HS- + C6H11NO3 = (HS- • C6H11NO3)

Quantity Value Units Method Reference Comment
Δr27.5kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr27.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry 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: John E. Bartmess

Protonation reactions

HS- + Hydrogen cation = Hydrogen sulfide

By formula: HS- + H+ = H2S

Quantity Value Units Method Reference Comment
Δr351.4 ± 0.7kcal/molAVGN/AAverage of 6 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr344.4 ± 3.0kcal/molH-TSRempala and Ervin, 2000gas phase
Δr344.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Δr344.90 ± 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
Δr345.6 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase
Δr342.30kcal/molN/ACheck, Faust, et al., 2001gas phase; MnO2-(t); ; ΔS(EA)=5.4

References

Go To: Top, Reaction thermochemistry data, 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.

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]

Chaibi, Delsart, et al., 2006
Chaibi, W.; Delsart, C.; Drag, C.; Blondel, C., High precision measurement of the (SH)-S-32 electron affinity by laser detachment microscopy, J. Molec. Spectros., 2006, 239, 1, 11-15, https://doi.org/10.1016/j.jms.2006.05.012 . [all data]

Sieck and Meot-ner, 1989
Sieck, L.W.; Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 8. RS-..HOR Bond Strengths. Correlation with Acidities., J. Phys. Chem., 1989, 93, 4, 1586, https://doi.org/10.1021/j100341a079 . [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]


Notes

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