Benzonitrile, 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
Δfgas11.1 ± 2.5kcal/molR-EAChowdhury, Heinis, et al., 1986ΔGea(423 K) = -38.7 kcal/mol; ΔSea = -2.7 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

C7H4N2O2- + Methyl Alcohol = (C7H4N2O2- • Methyl Alcohol)

By formula: C7H4N2O2- + CH4O = (C7H4N2O2- • CH4O)

Quantity Value Units Method Reference Comment
Δr13.9 ± 2.0kcal/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Δr28.6cal/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr4.1 ± 2.0kcal/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H4N2O2- + Acetonitrile = (C7H4N2O2- • Acetonitrile)

By formula: C7H4N2O2- + C2H3N = (C7H4N2O2- • C2H3N)

Quantity Value Units Method Reference Comment
Δr13.9 ± 2.0kcal/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Δr28.6cal/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr4.1 ± 2.0kcal/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H4N2O2- + Tetrahydrofuran = (C7H4N2O2- • Tetrahydrofuran)

By formula: C7H4N2O2- + C4H8O = (C7H4N2O2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr1.4 ± 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
1.4308.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Formamide, N,N-dimethyl- = (C7H4N2O2- • Formamide, N,N-dimethyl-)

By formula: C7H4N2O2- + C3H7NO = (C7H4N2O2- • C3H7NO)

Quantity Value Units Method Reference Comment
Δr3.9 ± 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
3.9343.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Dimethyl Sulfoxide = (C7H4N2O2- • Dimethyl Sulfoxide)

By formula: C7H4N2O2- + C2H6OS = (C7H4N2O2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr16.0kcal/molPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr33.6cal/mol*KPHPMSChowdhury, 1987gas phase; M

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.

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]


Notes

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