Benzene, 1-methyl-4-nitro- anion


Gas phase 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

Quantity Value Units Method Reference Comment
Δfgas-14.6 ± 2.5kcal/molR-EAChowdhury, Heinis, et al., 1986ΔGea(423 K) = -21.2 kcal/mol; ΔSea (estimated) = -2.0 eu.

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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Individual Reactions

C7H7NO2- + Tetrahydrofuran = (C7H7NO2- • Tetrahydrofuran)

By formula: C7H7NO2- + C4H8O = (C7H7NO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr3.1 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.1308.PHPMSChowdhury, 1987gas phase; M

C7H7NO2- + Dimethyl Sulfoxide = (C7H7NO2- • Dimethyl Sulfoxide)

By formula: C7H7NO2- + C2H6OS = (C7H7NO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr8.6 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.6343.PHPMSChowdhury, 1987gas phase; M

C7H7NO2- + Formamide, N,N-dimethyl- = (C7H7NO2- • Formamide, N,N-dimethyl-)

By formula: C7H7NO2- + C3H7NO = (C7H7NO2- • C3H7NO)

Quantity Value Units Method Reference Comment
Δr6.3 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.3343.PHPMSChowdhury, 1987gas phase; M

C7H7NO2- + Acetonitrile = (C7H7NO2- • Acetonitrile)

By formula: C7H7NO2- + C2H3N = (C7H7NO2- • C2H3N)

Quantity Value Units Method Reference Comment
Δr6.7 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.7343.PHPMSChowdhury, 1987gas phase; M

C7H7NO2- + Silicon tetrafluoride = C7H7F4NO2Si-

By formula: C7H7NO2- + F4Si = C7H7F4NO2Si-

Quantity Value Units Method Reference Comment
Δr35.0 ± 3.0kcal/molTDAsWilliamson, Knighton, et al., 2001gas phase; at 150 C; B
Quantity Value Units Method Reference Comment
Δr15.60 ± 0.60kcal/molTDAsWilliamson, Knighton, et al., 2001gas phase; at 150 C; B

C7H7NO2- + Methyl Alcohol = (C7H7NO2- • Methyl Alcohol)

By formula: C7H7NO2- + CH4O = (C7H7NO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr6.4 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Notes

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

Chowdhury, Heinis, et al., 1986
Chowdhury, S.; Heinis, T.; Grimsrud, E.P.; Kebarle, P., Entropy Changes and Electron Affinities from Gas-Phase Electron Transfer Equilibria: A- + B = A + B-, J. Phys. Chem., 1986, 90, 12, 2747, https://doi.org/10.1021/j100403a037 . [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]

Chowdhury, 1987
Chowdhury, S. Grimsrud, Bonding of Charge Delocalized Anions to Protic and Dipolar Aprotic Solvents, 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

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