CH2=CMe anion


Reaction 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: John E. Bartmess

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Individual Reactions

C3H5- + Hydrogen cation = Propene

By formula: C3H5- + H+ = C3H6

Quantity Value Units Method Reference Comment
Δr405.8 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase
Δr>404.75 ± 0.60kcal/molG+TSFroelicher, Freiser, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Δr398.0 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase
Δr>397.00kcal/molIMRBFroelicher, Freiser, et al., 1986gas phase

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 by: John E. Bartmess

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
0.56 ± 0.19D-EADePuy, Gronert, et al., 1989 

Protonation reactions

C3H5- + Hydrogen cation = Propene

By formula: C3H5- + H+ = C3H6

Quantity Value Units Method Reference Comment
Δr405.8 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase
Δr>404.75 ± 0.60kcal/molG+TSFroelicher, Freiser, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Δr398.0 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase
Δr>397.00kcal/molIMRBFroelicher, Freiser, et al., 1986gas phase

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.

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003 . [all data]

Froelicher, Freiser, et al., 1986
Froelicher, S.W.; Freiser, B.S.; Squires, R.R., The C3H5- isomers. Experimental and theoretical studies of the tautomeric propenyl ions and the cyclopropyl anion in the gas phase, J. Am. Chem. Soc., 1986, 108, 2853. [all data]


Notes

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