Benzene, 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-30. ± 9.6kJ/molR-EAChowdhury, Heinis, et al., 1986ΔGea(423 K) = -22.8 kcal/mol; ΔSea = -1.0 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

C6H5NO2- + Methyl Alcohol = (C6H5NO2- • Methyl Alcohol)

By formula: C6H5NO2- + CH4O = (C6H5NO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr63.18 ± 0.84kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr109.J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr30.5 ± 1.7kJ/molTDAsSieck, 1985gas phase; B
Δr26. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

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

C6H5NO2- + Dimethyl Sulfoxide = (C6H5NO2- • Dimethyl Sulfoxide)

By formula: C6H5NO2- + C2H6OS = (C6H5NO2- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr70.29 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr103.J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr39.7 ± 0.84kJ/molTDAsSieck, 1985gas phase; B
Δr36. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

(C6H5NO2- • Water) + Water = (C6H5NO2- • 2Water)

By formula: (C6H5NO2- • H2O) + H2O = (C6H5NO2- • 2H2O)

Quantity Value Units Method Reference Comment
Δr51.88 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr103.J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr20.9 ± 1.7kJ/molTDAsSieck, 1985gas phase; B

C6H5NO2- + Water = (C6H5NO2- • Water)

By formula: C6H5NO2- + H2O = (C6H5NO2- • H2O)

Quantity Value Units Method Reference Comment
Δr56.48 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr91.6J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr29.3 ± 0.84kJ/molTDAsSieck, 1985gas phase; B

C6H5NO2- + Acetic acid = (C6H5NO2- • Acetic acid)

By formula: C6H5NO2- + C2H4O2 = (C6H5NO2- • C2H4O2)

Quantity Value Units Method Reference Comment
Δr94.56 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr112.J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr61.09 ± 0.84kJ/molTDAsSieck, 1985gas phase; B

C6H5NO2- + Acetone = (C6H5NO2- • Acetone)

By formula: C6H5NO2- + C3H6O = (C6H5NO2- • C3H6O)

Quantity Value Units Method Reference Comment
Δr59.41 ± 0.84kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr26.8 ± 1.7kJ/molTDAsSieck, 1985gas phase; B

C6H5NO2- + Tetrahydrofuran = (C6H5NO2- • Tetrahydrofuran)

By formula: C6H5NO2- + C4H8O = (C6H5NO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr13. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

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

C6H5NO2- + Formamide, N,N-dimethyl- = (C6H5NO2- • Formamide, N,N-dimethyl-)

By formula: C6H5NO2- + C3H7NO = (C6H5NO2- • C3H7NO)

Quantity Value Units Method Reference Comment
Δr26. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

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

C6H5NO2- + Acetonitrile = (C6H5NO2- • Acetonitrile)

By formula: C6H5NO2- + C2H3N = (C6H5NO2- • C2H3N)

Quantity Value Units Method Reference Comment
Δr28. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

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

C6H5NO2- + Silicon tetrafluoride = C6H5F4NO2Si-

By formula: C6H5NO2- + F4Si = C6H5F4NO2Si-

Quantity Value Units Method Reference Comment
Δr146. ± 8.4kJ/molTDAsWilliamson, Knighton, et al., 2001gas phase; at 150 C; B
Quantity Value Units Method Reference Comment
Δr64.9 ± 2.5kJ/molTDAsWilliamson, Knighton, et al., 2001gas phase; at 150 C; B

C6H5NO2- + 2-Propanol, 2-methyl- = (C6H5NO2- • 2-Propanol, 2-methyl-)

By formula: C6H5NO2- + C4H10O = (C6H5NO2- • C4H10O)

Quantity Value Units Method Reference Comment
Δr68.6kJ/molPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr114.J/mol*KPHPMSSieck, 1985gas 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]

Sieck, 1985
Sieck, L.W., Thermochemistry of Solvation of NO2- and C6H5NO2- by Polar Molecules in the Vapor Phase. Comparison with Cl- and Variation with Ligand Structure., J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049 . [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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