Ethanethioamide

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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
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
IE (evaluated)8.35 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)211.4kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity203.8kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.36PEMines and Thompson, 1975LLK
8.36PEMines and Thompson, 1975Vertical value; LLK
8.33PEGuimon, Gonbeau, et al., 1974Vertical value; LLK

De-protonation reactions

C2H4NS- + Hydrogen cation = Ethanethioamide

By formula: C2H4NS- + H+ = C2H5NS

Quantity Value Units Method Reference Comment
Deltar346.4 ± 2.1kcal/molG+TSDecouzon, Exner, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Deltar339.4 ± 2.0kcal/molIMREDecouzon, Exner, et al., 1994gas 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]

Mines and Thompson, 1975
Mines, G.W.; Thompson, H.W., The photoelectron spectra of amides, thioamides, ureas and thioureas, Spectrochim. Acta, 1975, 31, 137. [all data]

Guimon, Gonbeau, et al., 1974
Guimon, C.; Gonbeau, D.; Pfister-Guillouzo, G.; Asbrink, L.; Sandstrom, J., Electronic structure of sulphur compounds. VI. Photoelectron spectra of some simple thiocarbonyl compounds, J. Electron Spectrosc. Relat. Phenom., 1974, 4, 49. [all data]

Decouzon, Exner, et al., 1994
Decouzon, M.; Exner, O.; Gal, J.F.; Maria, P.C.; Waisser, K., Acidity and basicity of thiocarboxamides in the gas phase, J. Phys. Org. Chem., 1994, 7, 9, 511, https://doi.org/10.1002/poc.610070907 . [all data]


Notes

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