Mercapto radical
- Formula: HS
- Molecular weight: 33.073
- IUPAC Standard InChIKey: PXQLVRUNWNTZOS-UHFFFAOYSA-N
- CAS Registry Number: 13940-21-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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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:
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 ± 0.001 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | 273.3 ± 0.9 | kcal/mol | N/A | N/A | |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH(+) ion,0K | 273.2 ± 0.9 | kcal/mol | N/A | N/A |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
2.31473 | LPES | Chaibi, Delsart, et al., 2006 | For H(32)S-. Given: 2.3147282(17) eV; B |
2.3170 ± 0.0020 | LPES | Breyer, Frey, et al., 1981 | B |
2.326 ± 0.091 | D-EA | Bartmess, Scott, et al., 1979 | value altered from reference due to change in acidity scale; B |
2.32085 | D-EA | Shiell, Hu, et al., 1900 | 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 |
2.3140 ± 0.0030 | LPD | Janousek and Brauman, 1981 | B |
2.3016 ± 0.0013 | LPD | Eyler and Atkinson, 1974 | B |
2.319 ± 0.010 | PD | Steiner, 1968 | B |
2.19422 | R-A | Refaey, 1976 | B |
2.31521 | N/A | Check, Faust, et al., 2001 | MnO2-(t); ; ΔS(EA)=5.4; B |
2.298 ± 0.039 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.4219 | TE | Milan, Buma, et al., 1996 | LL |
10.4219 ± 0.0004 | TE | Hsu, Baldwin, et al., 1994 | LL |
10.40 ± 0.01 | END | Smith, Adams, et al., 1981 | LLK |
10.43 | EVAL | Huber and Herzberg, 1979 | LLK |
10.37 ± 0.01 | PE | Dunlavey, Dyke, et al., 1979 | LLK |
10.41 ± 0.03 | S | Morrow, 1966 | RDSH |
10.5 ± 0.1 | EI | Palmer and Lossing, 1962 | RDSH |
De-protonation reactions
S- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 350.150 ± 0.070 | kcal/mol | D-EA | Blondel, Chaibi, et al., 2005 | gas phase; (32)S: 2.0771040(9) eV: revised analysis of Blondel, Delsart, et al., 2001; B |
ΔrH° | 350.2 ± 2.9 | kcal/mol | Endo | Rempala and Ervin, 2000 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 344.61 ± 0.19 | kcal/mol | H-TS | Blondel, Chaibi, et al., 2005 | gas phase; (32)S: 2.0771040(9) eV: revised analysis of Blondel, Delsart, et al., 2001; B |
ΔrG° | 344.7 ± 3.0 | kcal/mol | H-TS | Rempala and Ervin, 2000 | gas phase; B |
Anion protonation reactions
HS- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 351.4 ± 0.7 | kcal/mol | AVG | N/A | Average of 6 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 344.4 ± 3.0 | kcal/mol | H-TS | Rempala and Ervin, 2000 | gas phase; B |
ΔrG° | 344.8 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 344.90 ± 0.10 | kcal/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° | 345.6 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
ΔrG° | 342.30 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; MnO2-(t); ; ΔS(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.
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
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy ΔfH(+) ion,0K Enthalpy of formation of positive ion at 0K 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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