Mercapto radical

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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.

Quantity Value Units Method Reference Comment
Δfgas33.301kcal/molReviewChase, 1998Data last reviewed in June, 1977
Quantity Value Units Method Reference Comment
gas,1 bar46.757cal/mol*KReviewChase, 1998Data 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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. to 1200.1200. to 6000.
A 9.0925107.886011
B -6.5649910.679138
C 8.141640-0.121359
D -2.8199690.009141
E -0.002329-0.695427
F 30.8069129.75311
G 59.3677154.97290
H 33.3000033.30000
ReferenceChase, 1998Chase, 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, 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:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
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 HS+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.422 ± 0.001eVN/AN/AL
Quantity Value Units Method Reference Comment
Δf(+) ion273.3 ± 0.9kcal/molN/AN/A 
Quantity Value Units Method Reference Comment
ΔfH(+) ion,0K273.2 ± 0.9kcal/molN/AN/A 

Electron affinity determinations

EA (eV) Method Reference Comment
2.31473LPESChaibi, Delsart, et al., 2006For H(32)S-. Given: 2.3147282(17) eV; B
2.3170 ± 0.0020LPESBreyer, Frey, et al., 1981B
2.326 ± 0.091D-EABartmess, Scott, et al., 1979value altered from reference due to change in acidity scale; B
2.32085D-EAShiell, Hu, et al., 19000K: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
2.3140 ± 0.0030LPDJanousek and Brauman, 1981B
2.3016 ± 0.0013LPDEyler and Atkinson, 1974B
2.319 ± 0.010PDSteiner, 1968B
2.19422R-ARefaey, 1976B
2.31521N/ACheck, Faust, et al., 2001MnO2-(t); ; ΔS(EA)=5.4; B
2.298 ± 0.039SIPage and Goode, 1969The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.4219TEMilan, Buma, et al., 1996LL
10.4219 ± 0.0004TEHsu, Baldwin, et al., 1994LL
10.40 ± 0.01ENDSmith, Adams, et al., 1981LLK
10.43EVALHuber and Herzberg, 1979LLK
10.37 ± 0.01PEDunlavey, Dyke, et al., 1979LLK
10.41 ± 0.03SMorrow, 1966RDSH
10.5 ± 0.1EIPalmer and Lossing, 1962RDSH

De-protonation reactions

S- + Hydrogen cation = Mercapto radical

By formula: S- + H+ = HS

Quantity Value Units Method Reference Comment
Δr350.150 ± 0.070kcal/molD-EABlondel, Chaibi, et al., 2005gas phase; (32)S: 2.0771040(9) eV: revised analysis of Blondel, Delsart, et al., 2001; B
Δr350.2 ± 2.9kcal/molEndoRempala and Ervin, 2000gas phase; B
Quantity Value Units Method Reference Comment
Δr344.61 ± 0.19kcal/molH-TSBlondel, Chaibi, et al., 2005gas phase; (32)S: 2.0771040(9) eV: revised analysis of Blondel, Delsart, et al., 2001; B
Δr344.7 ± 3.0kcal/molH-TSRempala and Ervin, 2000gas phase; B

Anion 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; 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

References

Go To: Top, Gas phase 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]

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]

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]

Janousek and Brauman, 1981
Janousek, B.K.; Brauman, J.I., Electron Photodetachment from HS-. The Electron Affinity of HS, Phys. Rev. A, 1981, 23, 4, 1673, https://doi.org/10.1103/PhysRevA.23.1673 . [all data]

Eyler and Atkinson, 1974
Eyler, J.R.; Atkinson, G.H., Dye laser-induced photodetachment of electrons from SH- studied by ICR spectroscopy, Chem. Phys. Lett., 1974, 28, 217. [all data]

Steiner, 1968
Steiner, B., Photodetachment of Electrons From SH-, J. Chem. Phys., 1968, 49, 11, 5097, https://doi.org/10.1063/1.1670004 . [all data]

Refaey, 1976
Refaey, K.M.A., Endoergic ion-molecule-collision processes of negative ions. II. Collisions of I- on H2S, CS2, and COS, J. Chem. Phys., 1976, 65, 2002. [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]

Page and Goode, 1969
Page, F.M.; Goode, G.C., Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]

Milan, Buma, et al., 1996
Milan, J.B.; Buma, W.J.; deLange, C.A., Zero-kinetic-energy pulsed-field ionization spectroscopy of the a 1δ state of SH+ (CD+), J. Chem. Phys., 1996, 104, 521. [all data]

Hsu, Baldwin, et al., 1994
Hsu, C.-W.; Baldwin, D.P.; Liao, C.-L.; Ng, C.Y., Rotationally resolved nonresonant two-photon ionization of SH, J. Chem. Phys., 1994, 100, 8047. [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]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]

Dunlavey, Dyke, et al., 1979
Dunlavey, S.; Dyke, J.; Fayad, N.; Jonathan, N.; Morris, A., Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 10. The SH(X2çi) radical and the S(3P) atom, Mol. Phys., 1979, 38, 729. [all data]

Morrow, 1966
Morrow, B.A., The absorption spectrum of SH and SD in the vacuum ultraviolet, Can. J. Phys., 1966, 44, 2447. [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]

Blondel, Chaibi, et al., 2005
Blondel, C.; Chaibi, W.; Delsart, C.; Drag, C.; Goldfarb, F.; Kroger, S., The electron affinities of O, Si, and S revisited with the photodetachment microscope, Eur. Phys. J. D, 2005, 33, 3, 335-342, https://doi.org/10.1140/epjd/e2005-00069-9 . [all data]

Blondel, Delsart, et al., 2001
Blondel, C.; Delsart, C.; Goldfarb, F., Electron spectrometry at the mu eV level and the electron affinities of Si and F, J. Phys. B: Atom. Mol. Opt. Phys., 2001, 34, 9, L281-L288, https://doi.org/10.1088/0953-4075/34/9/101 . [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]

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]


Notes

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