Diethyl sulfide

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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.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-20.0 ± 0.55kcal/molCcbVoronkov, Klyuchnikov, et al., 1989 
Δfgas-19.77 ± 0.19kcal/molCcrHubbard, Good, et al., 1958see Hubbard, Katz, et al., 1954

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)8.42 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)204.8kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity197.7kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.41CTSAloisi, Santini, et al., 1974LLK
8.42 ± 0.01PIAkopyan, Sergeev, et al., 1970RDSH
8.430 ± 0.005PIWatanabe, Nakayama, et al., 1962RDSH
8.4PEAue and Bowers, 1979Vertical value; LLK
8.46PEWeiner and Lattman, 1978Vertical value; LLK
8.44PEWagner and Bock, 1974Vertical value; LLK
8.44PEBock, Wagner, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHS+15.3 ± 0.5?EIHobrock and Kiser, 1963RDSH
CH2S+11.75 ± 0.03C2H4+CH4PIAkopyan, Sergeev, et al., 1970RDSH
CH2S+12.5 ± 0.3?EIHobrock and Kiser, 1963RDSH
CH3S+12.00 ± 0.05C2H4+CH3PIAkopyan, Sergeev, et al., 1970RDSH
CH3S+12.3 ± 0.1?EIKeyes and Harrson, 1968RDSH
C2H2+21.7 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C2H3+16.7 ± 0.5?EIHobrock and Kiser, 1963RDSH
C2H3S+14.6 ± 0.4?EIHobrock and Kiser, 1963RDSH
C2H4+14.5 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C2H4S+9.9 ± 0.3C2H6PIAkopyan, Sergeev, et al., 1970RDSH
C2H4S+11.2 ± 0.2?EIHobrock and Kiser, 1963RDSH
C2H5+14.5 ± 0.3?EIHobrock and Kiser, 1963RDSH
C2H5S+10.23 ± 0.03C2H5PIAkopyan, Sergeev, et al., 1970RDSH
C2H5S+11.05C2H5EIGowenlock, Kay, et al., 1963RDSH
C2H6S+9.90 ± 0.03C2H4PIAkopyan, Sergeev, et al., 1970RDSH
C2H6S+10.4 ± 0.2?EIHobrock and Kiser, 1963RDSH
C3H5+12.41 ± 0.05CH3SH+HPIAkopyan, Sergeev, et al., 1970RDSH
C3H7S+10.7 ± 0.15CH3EIBroer and Weringa, 1980LLK
C3H7S+10.16 ± 0.05CH3PIAkopyan, Sergeev, et al., 1970RDSH
C3H7S+10.65CH3EIGowenlock, Kay, et al., 1963RDSH
C4H9S+10.2 ± 0.1HPIAkopyan, Sergeev, et al., 1970RDSH

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-2557
NIST MS number 229882

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References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Voronkov, Klyuchnikov, et al., 1989
Voronkov, M.G.; Klyuchnikov, V.A.; Kolabin, S.N.; Shvets, G.N.; Varusin, P.I.; Deryagina, E.N.; Korchevin, N.A.; Tsvetnitskaya, S.I., Thermochemical properties of diorganyl chalcogenides and dichalcogenides RMnR(M = S, Se, Te; n = 1, 2)., Dokl. Phys. Chem. (Engl. Transl.), 1989, 307, 650-653, In original 1139. [all data]

Hubbard, Good, et al., 1958
Hubbard, W.N.; Good, W.D.; Waddington, G., The heats of combustion, formation and isomerization of the seven isomeric C4H10S alkane thiols and sulfides, J. Phys. Chem., 1958, 62, 614-617. [all data]

Hubbard, Katz, et al., 1954
Hubbard, W.N.; Katz, C.; Waddington, G., A rotating combustion bomb for precision calorimetry. Heats of combustion of some sulfur-containing compounds, J. Phys. Chem., 1954, 58, 142. [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]

Aloisi, Santini, et al., 1974
Aloisi, G.G.; Santini, S.; Sorriso, S., Molecular complexes of substituted diphenyl sulphides with π acceptors. Charge transfer spectra and ionization potentials of the donors, J. Chem. Soc. Faraday Trans. 1, 1974, 70, 1908. [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]

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]

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]

Weiner and Lattman, 1978
Weiner, M.A.; Lattman, M., Ultraviolet photoelectron spectra of some Cr(CO)5L complexes containing organosulfide and organophosphine ligands, Inorg. Chem., 1978, 17, 1084. [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]

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]

Hobrock and Kiser, 1963
Hobrock, B.G.; Kiser, R.W., Electron impact investigations of sulfur compounds. III. 2-Thiapropane, 3-thiapentane, and 2,3,4-trithiapentane, J. Phys. Chem., 1963, 67, 1283. [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]

Gal'perin, Bogolyubov, et al., 1969
Gal'perin, Ya.V.; Bogolyubov, G.M.; Grishin, N.N.; Petrov, A.A., Organic derivatives of elements of groups V and VI. VI. Mass spectra of compounds with S-S bonds, Zh. Obshch. Khim., 1969, 39, 1599, In original 1567. [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]

Broer and Weringa, 1980
Broer, W.J.; Weringa, W.D., Potential energy profiles for the unimolecular reactions of [C3H7S]+ ions, Org. Mass Spectrom., 1980, 15, 229. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References