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Thioacetone


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

View reactions leading to C3H6S+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.6PERao, 1975Vertical value; LLK
8.60 ± 0.05PEKroto, Landsberg, et al., 1974Vertical value; LLK

De-protonation reactions

C3H5S- + Hydrogen cation = Thioacetone

By formula: C3H5S- + H+ = C3H6S

Quantity Value Units Method Reference Comment
Deltar351.1 ± 3.4kcal/molG+TSZhang and Grabowski, 1989gas phase; Between H2S, PhOH (Acid = Me2C=S); B
Quantity Value Units Method Reference Comment
Deltar344.0 ± 3.0kcal/molIMRBZhang and Grabowski, 1989gas phase; Between H2S, PhOH (Acid = Me2C=S); B

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.

Rao, 1975
Rao, C.N.R., Lone-pair ionization bands of chromophores in the photoelectron spectra of organic molecules, Indian J. Chem., 1975, 13, 950. [all data]

Kroto, Landsberg, et al., 1974
Kroto, H.W.; Landsberg, B.M.; Suffolk, R.J.; Vodden, A., The photoelectron and microwave spectra of the unstable species thioacetaldehyde, CH3CHS, and thioacetone, (CH3)2CS, Chem. Phys. Lett., 1974, 29, 265. [all data]

Zhang and Grabowski, 1989
Zhang, L.; Grabowski, J.J., The Gas-Phase Basicity and H/D Exchange Characteristics of the Parent Thiocarbonyl Enolate Anions, J. Chem. Soc. Chem. Comm. 1819, 1989. [all data]


Notes

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