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Dimethyl 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 C2H6S+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.69 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)830.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity801.2kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.6PECarnovale, Livett, et al., 1983LBLHLM
8.72PEKimura, Katsumata, et al., 1981LLK
8.5 ± 0.1PEAue, Webb, et al., 1980LLK
8.6PEAue and Bowers, 1979LLK
8.687SMcDiarmid, 1974LLK
8.706 ± 0.010SScott, Causley, et al., 1973LLK
8.67PEMollere, Bock, et al., 1973LLK
8.57 ± 0.04PEBunzli, Frost, et al., 1973LLK
8.7PESchafer and Schweig, 1972LLK
8.69 ± 0.01PIAkopyan, Sergeev, et al., 1970RDSH
8.68 ± 0.03PECullen, Frost, et al., 1969RDSH
8.7 ± 0.1EIKeyes and Harrson, 1968RDSH
8.685 ± 0.005PIWatanabe, Nakayama, et al., 1962RDSH
8.67PEChang, Young, et al., 1986Vertical value; LBLHLM
8.7PECarnovale, Livett, et al., 1983Vertical value; LBLHLM
8.7PEAue and Bowers, 1979Vertical value; LLK
8.71PEKobayashi, 1978Vertical value; LLK
8.71PEKobayashi, 1978, 2Vertical value; LLK
8.67PEWagner and Bock, 1974Vertical value; LLK
8.65PESchweig and Thiel, 1974Vertical value; LLK
8.65PEFrost, Herring, et al., 1972Vertical value; LLK
8.71PECradock and Whiteford, 1972Vertical value; LLK
8.67PEBock, Wagner, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHS+14.0 ± 0.1CH4+HPIErmolenko, Akopyan, et al., 1983LBLHLM
CHS+14.16 ± 0.08?EICullen, Frost, et al., 1970RDSH
CH2S+10.5 ± 0.1CH4PIErmolenko, Akopyan, et al., 1983LBLHLM
CH2S+10.97 ± 0.13?EICullen, Frost, et al., 1970RDSH
CH2S+10.46 ± 0.08CH4PIAkopyan, Sergeev, et al., 1970RDSH
CH3+13.0?EIGowenlock, Kay, et al., 1963RDSH
CH3S+10.8 ± 0.1CH3PIErmolenko, Akopyan, et al., 1983LBLHLM
CH3S+10.79 ± 0.04CH3PIAkopyan, Sergeev, et al., 1970RDSH
CH3S+11.1 ± 0.1CH3EIKeyes and Harrson, 1968RDSH
C2H3+14.1 ± 0.1H2S+HPIErmolenko, Akopyan, et al., 1983LBLHLM
C2H3+14.7?EIGowenlock, Kay, et al., 1963RDSH
C2H5S+10.85 ± 0.15HPIErmolenko, Akopyan, et al., 1983LBLHLM
C2H5S+10.93 ± 0.02HPIAkopyan, Sergeev, et al., 1970RDSH
C2H5S+11.5 ± 0.1HEIKeyes and Harrson, 1968RDSH
C2H5S+11.2 ± 0.1HEITaft, Martin, et al., 1965RDSH
H2S+14.29 ± 0.04?EICullen, Frost, et al., 1970RDSH
H3S+13.6 ± 0.1C2H+H2PIErmolenko, Akopyan, et al., 1983LBLHLM
H3S+14.14 ± 0.02?EIHaney and Franklin, 1969RDSH

De-protonation reactions

C2H5S- + Hydrogen cation = Dimethyl sulfide

By formula: C2H5S- + H+ = C2H6S

Quantity Value Units Method Reference Comment
Deltar1633. ± 6.3kJ/molD-EAMoran and Ellison, 1988gas phase; B
Deltar1645. ± 8.8kJ/molG+TSIngemann and Nibbering, 1985gas phase; B
Quantity Value Units Method Reference Comment
Deltar1602. ± 7.1kJ/molH-TSMoran and Ellison, 1988gas phase; B
Deltar1615. ± 8.4kJ/molIMREIngemann and Nibbering, 1985gas phase; 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]

Carnovale, Livett, et al., 1983
Carnovale, F.; Livett, M.K.; Peel, J.B., Identification of the gas phase trimer (CH3)2S.(HF)2 by photoelectron spectroscopy, J. Am. Chem. Soc., 1983, 105, 6788. [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]

Aue, Webb, et al., 1980
Aue, D.H.; Webb, H.M.; Davidson, W.R.; Vidal, M.; Bowers, M.T.; Goldwhite, H.; Vertal, L.E.; Douglas, J.E.; Kollman, P.A.; Kenyon, G.L., Proton affinities photoelectron spectra of three-membered-ring J. Heterocycl. Chem., J. Am. Chem. Soc., 1980, 102, 5151. [all data]

Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]

McDiarmid, 1974
McDiarmid, R., Assignments of Rydberg and valence transitions in the electronic absorption spectrum of dimethyl sulfide, J. Chem. Phys., 1974, 61, 274. [all data]

Scott, Causley, et al., 1973
Scott, J.D.; Causley, G.C.; Russell, B.R., Vacuum ultraviolet absorption spectra of dimethylsulfide, dimethylselenide, and dimethyltelluride, J. Chem. Phys., 1973, 59, 6577. [all data]

Mollere, Bock, et al., 1973
Mollere, P.; Bock, H.; Becker, G.; Fritz, G., Photoelectron spectra and molecular properties. XXI. Dimethyl sulfide, methyl silyl sulfide, and disilyl sulfide, J. Organomet. Chem., 1973, 61, 127. [all data]

Bunzli, Frost, et al., 1973
Bunzli, J.C.; Frost, D.C.; Weiler, L., Photoelectron spectrum of 7-thiabicyclo[2.2.1]heptane, J. Am. Chem. Soc., 1973, 95, 7880. [all data]

Schafer and Schweig, 1972
Schafer, W.; Schweig, A., Evidence against the significance of C-S hyperconjugation in determining the conformation of allyl methyl sulphide, J. Chem. Soc., Chem. Commun., 1972, 824. [all data]

Akopyan, Sergeev, et al., 1970
Akopyan, M.E.; Sergeev, Yu.L.; Vilesov, F.I., Photionization in vapors of aliphatic sulfides. I. Methymercaptan, dimethyl and diethyl sulfides, High Energy Chem., 1970, 4, 265, In original 305. [all data]

Cullen, Frost, et al., 1969
Cullen, W.R.; Frost, D.C.; Vroom, D.A., Ionization potentials of some sulfur compounds, Inorg. Chem., 1969, 8, 1803. [all data]

Keyes and Harrson, 1968
Keyes, B.G.; Harrson, A.G., The fragmentation of aliphatic sulfur compounds by electron impact, J. Am. Chem. Soc., 1968, 90, 5671. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Chang, Young, et al., 1986
Chang, F.C.; Young, V.Y.; Prather, J.W.; Cheng, K.L., Study of methyl chalcogen compounds with ultraviolet photoelectron spectroscopy, J. Electron Spectrosc. Relat. Phenom., 1986, 40, 363. [all data]

Kobayashi, 1978
Kobayashi, T., A new rule for photoelectron angular distributions of molecules, Phys. Lett. A, 1978, 69, 31. [all data]

Kobayashi, 1978, 2
Kobayashi, T., A simple general tendency in photoelectron angular distributions of some monosubstituted benzenes, Phys. Lett., 1978, 69, 105. [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]

Frost, Herring, et al., 1972
Frost, D.C.; Herring, F.G.; Katrib, A.; McDowell, C.A.; McLean, R.A.N., Photoelectron spectra of CH3SH, (CH3)2S, C6H5SH, and C6H5CH2SH; the bonding between sulfur and carbon, J. Phys. Chem., 1972, 76, 1030. [all data]

Cradock and Whiteford, 1972
Cradock, S.; Whiteford, R.A., Photoelectron spectra of the methyl, silyl and germyl derivatives of the group VI elements, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 281. [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]

Ermolenko, Akopyan, et al., 1983
Ermolenko, A.I.; Akopyan, M.E.; Sergeev, Y.L., Decomposition of dimethyl sulfide molecular ions. Randomization of states during photoionization dissociation of molecules, High Energy Chem., 1983, 17, 25. [all data]

Cullen, Frost, et al., 1970
Cullen, W.R.; Frost, D.C.; Pun, M.T., Mass spectra, appearance potentials, heats of formation, and bond energies of some alkyl and perfluoroalkyl sulfides, Inorg. Chem., 1970, 9, 1976. [all data]

Gowenlock, Kay, et al., 1963
Gowenlock, B.G.; Kay, J.; Majer, J.R., Electron impact studies of some sulphides and disulphides, J. Chem. Soc. Faraday Trans., 1963, 59, 2463. [all data]

Taft, Martin, et al., 1965
Taft, R.W.; Martin, R.H.; Lampe, F.W., Stabilization energies of substituted methyl cations. The effect of strong demand on the resonance order, J. Am. Chem. Soc., 1965, 87, 2490. [all data]

Haney and Franklin, 1969
Haney, M.A.; Franklin, J.L., Heats of formation of H3O+, H3S+, and NH4+ by electron impact, J. Chem. Phys., 1969, 50, 2028. [all data]

Moran and Ellison, 1988
Moran, S.; Ellison, G.B., Photoelectron Spectroscopy of Sulfur Ions, J. Phys. Chem., 1988, 92, 7, 1794, https://doi.org/10.1021/j100318a021 . [all data]

Ingemann and Nibbering, 1985
Ingemann, S.; Nibbering, N.M.M., Gas phase chemistry of alpha-thio carbanions, Can. J. Chem., 1985, 62, 2273. [all data]


Notes

Go To: Top, Gas phase ion energetics data, References