Thiourea

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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
Δfgas22.9 ± 1.6kJ/molCcrGomez and Sabbah, 1982 

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:
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
Proton affinity (review)893.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity863.9kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.50EIBaldwin, Loudon, et al., 1976LLK
7.9PEDebies and Rabalais, 1974LLK
8.50 ± 0.05EIBaldwin, Maccoll, et al., Ind. 1966RDSH
8.50PEMines and Thompson, 1975Vertical value; LLK
8.41 ± 0.03PEGuimon, Pfister-Guillouzo, et al., 1974Vertical value; LLK
8.41PEGuimon, Gonbeau, et al., 1974Vertical value; LLK

References

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

Gomez and Sabbah, 1982
Gomez, L.A.T.; Sabbah, R., Thermodynamique de substances soufrees. IV. Etude thermochimique de la thiouree, de la thiosemicarbazide et de la thiocarbohydrazide, Thermochim. Acta, 1982, 57, 67-81. [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]

Baldwin, Loudon, et al., 1976
Baldwin, M.A.; Loudon, A.G.; Maccoll, A.; Webb, K.S., The nature and fragmentation pathways of the molecular ions of some arylureas, arylthioureas, acetanilides, thioacetanilides and related compounds, Org. Mass Spectrom., 1976, 11, 1181. [all data]

Debies and Rabalais, 1974
Debies, T.P.; Rabalais, J.W., Electronic structure of amino acids and ureas, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 315. [all data]

Baldwin, Maccoll, et al., Ind. 1966
Baldwin, M.; Maccoll, A.; Kirkien-Konasiewicz, A.; Saville, B., Ionisation potentials of the N-methylated thioureas, Chem., Ind. 1966, 286. [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, Pfister-Guillouzo, et al., 1974
Guimon, C.; Pfister-Guillouzo, G.; Arbelot, M.; Chanon, M., Electronic structure of sulphur compounds. VII. Photoelectron spectra of thiocarbonyl J. Heterocycl. Chem.., Tetrahedron, 1974, 30, 3831. [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]


Notes

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