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CH2=C=CH 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

C3H3- + Hydrogen cation = Allene

By formula: C3H3- + H+ = C3H4

Quantity Value Units Method Reference Comment
Deltar1590. ± 8.4kJ/molD-EARobinson, Polak, et al., 1995gas phase; Neutral acid: allene. Propyne would be 1.0 kcal/mol less acidic.
Deltar1596. ± 13.kJ/molG+TSRobinson, Polak, et al., 1995gas phase; Relative to MeOH at 375.0; kinetic scheme factors in isomerization
Deltar1592. ± 8.8kJ/molD-EAOakes and Ellison, 1983gas phase; Neutral acid: allene. Propyne would be 1.0 kcal/mol less acidic.
Quantity Value Units Method Reference Comment
Deltar1560. ± 13.kJ/molIMRERobinson, Polak, et al., 1995gas phase; Relative to MeOH at 375.0; kinetic scheme factors in isomerization
Deltar1556. ± 9.2kJ/molH-TSOakes and Ellison, 1983gas phase; Neutral acid: allene. Propyne would be 1.0 kcal/mol less acidic.

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.

Robinson, Polak, et al., 1995
Robinson, M.S.; Polak, M.L.; Bierbaum, V.M.; DePuy, C.H.; Lineberger, W.C., Experimental Studies of Allene, Methylacetylene, and the Propargyl Radical: Bond Dissociation Energies, Gas-Phase Acidities, and Ion-Molecule Chemistry, J. Am. Chem. Soc., 1995, 117, 25, 6766, https://doi.org/10.1021/ja00130a017 . [all data]

Oakes and Ellison, 1983
Oakes, J.M.; Ellison, B.G., Photoelectron spectroscopy of the allenyl anion CH2=C=CH-, J. Am. Chem. Soc., 1983, 105, 2969. [all data]


Notes

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