NCCH2CH2 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

C3H4N- + Hydrogen cation = Propanenitrile

By formula: C3H4N- + H+ = C3H5N

Quantity Value Units Method Reference Comment
Δr392.0 ± 5.1kcal/molG+TSMerrill, Dahlke, et al., 1996gas phase; comparable to H2O.
Quantity Value Units Method Reference Comment
Δr384.0 ± 5.0kcal/molIMRBMerrill, Dahlke, et al., 1996gas phase; comparable to H2O.

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
0.96 ± 0.24D-EAMerrill, Dahlke, et al., 1996comparable to H2O.

Protonation reactions

C3H4N- + Hydrogen cation = Propanenitrile

By formula: C3H4N- + H+ = C3H5N

Quantity Value Units Method Reference Comment
Δr392.0 ± 5.1kcal/molG+TSMerrill, Dahlke, et al., 1996gas phase; comparable to H2O.
Quantity Value Units Method Reference Comment
Δr384.0 ± 5.0kcal/molIMRBMerrill, Dahlke, et al., 1996gas phase; comparable to H2O.

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.

Merrill, Dahlke, et al., 1996
Merrill, G.N.; Dahlke, G.D.; Kass, S.R., beta-Cyanoethyl Anion: Lusus Naturae, J. Am. Chem. Soc., 1996, 118, 18, 4462, https://doi.org/10.1021/ja953796o . [all data]


Notes

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