2,4,6-triNO2-C6H2CH2 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

C7H4N3O6- + Hydrogen cation = Trinitrotoluene

By formula: C7H4N3O6- + H+ = C7H5N3O6

Quantity Value Units Method Reference Comment
Δr315.6 ± 2.2kcal/molG+TSKoppel, Taft, et al., 1994gas phase
Quantity Value Units Method Reference Comment
Δr309.0 ± 2.0kcal/molIMREKoppel, Taft, et al., 1994gas phase
Δr323.0 ± 5.0kcal/molIMRBDzidic, Carroll, et al., 1974gas 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

Protonation reactions

C7H4N3O6- + Hydrogen cation = Trinitrotoluene

By formula: C7H4N3O6- + H+ = C7H5N3O6

Quantity Value Units Method Reference Comment
Δr315.6 ± 2.2kcal/molG+TSKoppel, Taft, et al., 1994gas phase
Quantity Value Units Method Reference Comment
Δr309.0 ± 2.0kcal/molIMREKoppel, Taft, et al., 1994gas phase
Δr323.0 ± 5.0kcal/molIMRBDzidic, Carroll, et al., 1974gas 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.

Koppel, Taft, et al., 1994
Koppel, I.A.; Taft, R.W.; Anvia, F.; Zhu, S.Z.; Hu, L.Q.; Sung, K.S.; Desmarteau, D.D.; Yagupolskii, L.M., The Gas-Phase Acidities of Very Strong Neutral Bronsted Acids, J. Am. Chem. Soc., 1994, 116, 7, 3047, https://doi.org/10.1021/ja00086a038 . [all data]

Dzidic, Carroll, et al., 1974
Dzidic, I.; Carroll, D.I.; Stillwell, R.N.; Horning, E.C., Gas phase reactions. Ionization by proton transfer to superoxide anions, J. Am. Chem. Soc., 1974, 96, 5258. [all data]


Notes

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