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Dimethyl Sulfoxide

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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

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to C2H6OS+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)211.4kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity204.0kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.013921 ± 0.000087N/AHammer, Diri, et al., 2003B
0.007416EFDSuess, Liu, et al., 2003B

Ionization energy determinations

IE (eV) Method Reference Comment
9.10PEKimura, Katsumata, et al., 1981LLK
9.08 ± 0.09EIPotzinger, Stracke, et al., 1975LLK
9.20 ± 0.05EIDistefano, Foffani, et al., 1971LLK
9.20EIDistefano, Foffani, et al., 1971, 2LLK
9.9 ± 0.1EIBlais, Cottin, et al., 1970RDSH
9.10PEKimura, Katsumata, et al., 1981Vertical value; LLK
9.01PEBock and Solouki, 1974Vertical value; LLK
9.11PEMines, Thomas, et al., 1972Vertical value; LLK
9.01PEBock and Solouki, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+22.9 ± 0.5?EIBlais, Cottin, et al., 1970RDSH
CH+19.4 ± 0.5?EIBlais, Cottin, et al., 1970RDSH
CHO+15. ± 0.1?EIBlais, Cottin, et al., 1970RDSH
CHS+10.69 ± 0.13?PIPECOZha, Nishimura, et al., 1988LL
CHS+11.6 ± 0.2H2O+CH3EIPotzinger, Stracke, et al., 1975LLK
CHS+14.8 ± 0.1?EIBlais, Cottin, et al., 1970RDSH
CH2+15.5 ± 0.3?EIBlais, Cottin, et al., 1970RDSH
CH2O+10.9 ± 0.5?EIBlais, Cottin, et al., 1970RDSH
CH2OS+11.8 ± 0.1CH4EIBlais, Cottin, et al., 1970RDSH
CH2S+11.5 ± 0.1?EIBlais, Cottin, et al., 1970RDSH
CH3+14.85 ± 0.14?PIPECOZha, Nishimura, et al., 1988LL
CH3+13.3 ± 0.3CH3SOEIPotzinger, Stracke, et al., 1975LLK
CH3+16.3 ± 0.1?EIBlais, Cottin, et al., 1970RDSH
CH3O+13.82 ± 0.16?PIPECOZha, Nishimura, et al., 1988LL
CH3O+12.2?EIAmos, Gillis, et al., 1969RDSH
CH3OS+10.64 ± 0.07CH3PIPECOZha, Nishimura, et al., 1988LL
CH3OS+10.91 ± 0.16CH3EIPotzinger, Stracke, et al., 1975LLK
CH3OS+11.9 ± 0.1CH3EIBlais, Cottin, et al., 1970RDSH
CH3S+10.69 ± 0.13?PIPECOZha, Nishimura, et al., 1988LL
CH3S+11.4?EIAmos, Gillis, et al., 1969RDSH
CS+11.3 ± 0.3?EIBlais, Cottin, et al., 1970RDSH
C2HS+10.9 ± 0.3?EIBlais, Cottin, et al., 1970RDSH
C2H2+12. ± 0.3?EIBlais, Cottin, et al., 1970RDSH
C2H2S+13. ± 0.3?EIBlais, Cottin, et al., 1970RDSH
C2H3+14.39 ± 0.14?PIPECOZha, Nishimura, et al., 1988LL
C2H3+15.9 ± 0.1?EIBlais, Cottin, et al., 1970RDSH
C2H3S+11. ± 0.3?EIBlais, Cottin, et al., 1970RDSH
C2H4+13.7 ± 0.3?EIBlais, Cottin, et al., 1970RDSH
C2H4OS+10.9 ± 0.5H2EIBlais, Cottin, et al., 1970RDSH
C2H4S+11.1 ± 0.5?EIBlais, Cottin, et al., 1970RDSH
C2H5+13.82 ± 0.16?PIPECOZha, Nishimura, et al., 1988LL
C2H5O+14. ± 0.3?EIBlais, Cottin, et al., 1970RDSH
C2H5OS+12.6 ± 0.1HEIBlais, Cottin, et al., 1970RDSH
C2H5S+10.55 ± 0.07?PIPECOZha, Nishimura, et al., 1988LL
C2H5S+10.5?EIAmos, Gillis, et al., 1969RDSH
C2H6S+11.6 ± 0.1OEIBlais, Cottin, et al., 1970RDSH
H+23. ± 0.5?EIBlais, Cottin, et al., 1970RDSH
HSO+11.1 ± 0.3?EIBlais, Cottin, et al., 1970RDSH
HS+15.8 ± 0.1?EIBlais, Cottin, et al., 1970RDSH
H2O+14.39 ± 0.14?PIPECOZha, Nishimura, et al., 1988LL
H2SO+10.9 ± 0.3?EIBlais, Cottin, et al., 1970RDSH
H2S+11. ± 0.1?EIBlais, Cottin, et al., 1970RDSH
H3SO+10.9 ± 0.5?EIBlais, Cottin, et al., 1970RDSH
H3S+13.59 ± 0.07?PIPECOZha, Nishimura, et al., 1988LL
O+15.8 ± 0.5?EIBlais, Cottin, et al., 1970RDSH
SO+11. ± 0.1?EIBlais, Cottin, et al., 1970RDSH
S+10.8 ± 0.3?EIBlais, Cottin, et al., 1970RDSH

De-protonation reactions

C2H5OS- + Hydrogen cation = Dimethyl Sulfoxide

By formula: C2H5OS- + H+ = C2H6OS

Quantity Value Units Method Reference Comment
Deltar373.5 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar374.3 ± 2.3kcal/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar366.4 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar367.2 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas 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]

Hammer, Diri, et al., 2003
Hammer, N.I.; Diri, K.; Jordan, K.D.; Desfrancois, C.; Compton, R.N., Dipole-bound anions of carbonyl, nitrile, and sulfoxide containing molecules, J. Chem. Phys., 2003, 119, 7, 3650-3660, https://doi.org/10.1063/1.1590959 . [all data]

Suess, Liu, et al., 2003
Suess, L.; Liu, Y.; Parthasarathy, R.; Dunning, F.B., Dipole-bound negative ions: Collisional destruction and blackbody-radiation-induced photodetachment, J. Chem. Phys., 2003, 119, 24, 12890-12894, https://doi.org/10.1063/1.1628215 . [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]

Potzinger, Stracke, et al., 1975
Potzinger, P.; Stracke, H.-U.; Kupper, W.; Gollnick, K., Ionisierungs- und Auftrittspotentialmessungen an Dialkylsulfoxiden, Z. Naturforsch. A:, 1975, 30, 340. [all data]

Distefano, Foffani, et al., 1971
Distefano, G.; Foffani, A.; Innorta, G.; Pignataro, S., Mass spectrometric study of transition metal complexes with ligands having nitrogen or sulphur as donor atom, Adv. Mass Spectrom., 1971, 5, 696. [all data]

Distefano, Foffani, et al., 1971, 2
Distefano, G.; Foffani, A.; Innorta, G.; Pignataro, S., Electron impact ionization potentials of some manganese, chromium and tungsten organometallic derivatives, Int. J. Mass Spectrom. Ion Phys., 1971, 7, 383. [all data]

Blais, Cottin, et al., 1970
Blais, J.-C.; Cottin, M.; Gitton, B., Ionisation positive et negative dans le dimethylsulfoxyde en phase gazeuse, J. Chim. Phys., 1970, 67, 1475. [all data]

Bock and Solouki, 1974
Bock, H.; Solouki, B., Photoelektronenspektren und molekuleigenschaften, XXXV. Sulfoxide X2SO - beispiele fur den nutzen von korrelations - diagrammen bei der diskussion von substituenteneffekten und von geometrischen storungen, Chem. Ber., 1974, 107, 2299. [all data]

Mines, Thomas, et al., 1972
Mines, G.W.; Thomas, R.K.; Thompson, H., Photoelectron spectra of compounds containing thionyl and sulphuryl groups, Proc. R. Soc. London A:, 1972, 329, 275. [all data]

Bock and Solouki, 1972
Bock, H.; Solouki, B., The sulfoxide bond, Angew. Chem. Int. Ed. Engl., 1972, 11, 436. [all data]

Zha, Nishimura, et al., 1988
Zha, Q.; Nishimura, T.; Meisels, G.G., Unimolecular dissociation of energy-selected dimethyl sulfoxide, Int. J. Mass Spectrom. Ion Processes, 1988, 83, 1. [all data]

Amos, Gillis, et al., 1969
Amos, D.; Gillis, R.G.; Occolowitz, J.L.; Pisani, J.F., The ions [CH3S]+, [C2H5S]+ and [CH3O]+ formed by electron-impact, Org. Mass Spectrom., 1969, 2, 209. [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]

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