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CH2=CHCH2 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
Deltar1636.4 ± 1.3kJ/molG+TSEllison, Davico, et al., 1996gas phase; calculated dSacid=24.2±1.0 eu
Deltar1634. ± 4.2kJ/molD-EAWenthold, Polak, et al., 1996gas phase
Deltar1635. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Deltar1632.8 ± 2.7kJ/molG+TSMackay, Lien, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar1605.8 ± 0.42kJ/molIMREEllison, Davico, et al., 1996gas phase; calculated dSacid=24.2±1.0 eu
Deltar1606. ± 4.6kJ/molH-TSWenthold, Polak, et al., 1996gas phase
Deltar1607. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Deltar1605.0 ± 2.1kJ/molIMREMackay, Lien, et al., 1978gas phase

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, References, Notes

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

Protonation reactions

C3H5- + Hydrogen cation = Propene

By formula: C3H5- + H+ = C3H6

Quantity Value Units Method Reference Comment
Deltar1636.4 ± 1.3kJ/molG+TSEllison, Davico, et al., 1996gas phase; calculated dSacid=24.2±1.0 eu
Deltar1634. ± 4.2kJ/molD-EAWenthold, Polak, et al., 1996gas phase
Deltar1635. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Deltar1632.8 ± 2.7kJ/molG+TSMackay, Lien, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar1605.8 ± 0.42kJ/molIMREEllison, Davico, et al., 1996gas phase; calculated dSacid=24.2±1.0 eu
Deltar1606. ± 4.6kJ/molH-TSWenthold, Polak, et al., 1996gas phase
Deltar1607. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Deltar1605.0 ± 2.1kJ/molIMREMackay, Lien, et al., 1978gas phase

References

Go To: Top, Reaction thermochemistry data, 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.

Ellison, Davico, et al., 1996
Ellison, G.B.; Davico, G.E.; Bierbaum, V.M.; DePuy, C.H., Thermochemistry of theb Benzyl and Allyl Radicals and Ions, Int. J. Mass Spectrom. Ion Proc., 1996, 156, 1-2, 109-131, https://doi.org/10.1016/S0168-1176(96)04383-2 . [all data]

Wenthold, Polak, et al., 1996
Wenthold, P.G.; Polak, M.L.; Lineberger, W.C., Photoelectron Spectroscopy of the Allyl and 2-Methylallyl Anions, J. Phys. Chem., 1996, 100, 17, 6920, https://doi.org/10.1021/jp953401n . [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]

Mackay, Lien, et al., 1978
Mackay, G.I.; Lien, M.H.; Hopkinson, A.C.; Bohme, D.K., Experimental and theoretical studies of proton removal from propene, Can. J. Chem., 1978, 56, 131. [all data]


Notes

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