pNO2-phenoxide anion


Gas phase ion energetics data

Go To: Top, Ion clustering 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

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
3.49 ± 0.12D-EAFujio, McIver, et al., 1981value altered from reference due to change in acidity scale

Protonation reactions

C6H4NO3- + Hydrogen cation = Phenol, 4-nitro-

By formula: C6H4NO3- + H+ = C6H5NO3

Quantity Value Units Method Reference Comment
Δr327.7 ± 2.1kcal/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr320.9 ± 2.0kcal/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale

Ion clustering data

Go To: Top, Gas phase ion energetics 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C6H4NO3- + Methyl Alcohol = (C6H4NO3- • Methyl Alcohol)

By formula: C6H4NO3- + CH4O = (C6H4NO3- • CH4O)

Quantity Value Units Method Reference Comment
Δr5.0 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.

C6H4NO3- + Acetonitrile = (C6H4NO3- • Acetonitrile)

By formula: C6H4NO3- + C2H3N = (C6H4NO3- • C2H3N)

Quantity Value Units Method Reference Comment
Δr5.7 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.

C6H4NO3- + Dimethyl Sulfoxide = (C6H4NO3- • Dimethyl Sulfoxide)

By formula: C6H4NO3- + C2H6OS = (C6H4NO3- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr5.9 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.

C6H4NO3- + Silicon tetrafluoride = C6H4F4NO3Si-

By formula: C6H4NO3- + F4Si = C6H4F4NO3Si-

Quantity Value Units Method Reference Comment
Δr13.90 ± 0.60kcal/molIMREWilliamson, Knighton, et al., 2001gas phase; at 150 C

References

Go To: Top, Gas phase ion energetics data, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]

Chowdhury, Grimsrud, et al., 1987
Chowdhury, S.; Grimsrud, E.P.; Kebarle, P., Bonding of Charged Delocalized Anions to Protic and Dipolar Aprotic Solvent Molecules, J. Phys. Chem., 1987, 91, 10, 2551, https://doi.org/10.1021/j100294a021 . [all data]

Williamson, Knighton, et al., 2001
Williamson, D.H.; Knighton, W.B.; Grimsrud, E.P., Lewis acid-base interactions of SiF4 with molecular anions formed by electron capture reactions, Int. J. Mass Spectrom., 2001, 206, 1-2, 53-61, https://doi.org/10.1016/S1387-3806(00)00388-2 . [all data]


Notes

Go To: Top, Gas phase ion energetics data, Ion clustering data, References