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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
Deltafgas-7.1 ± 2.3kcal/molR-EAChowdhury, Heinis, et al., 1986«DELTA»Gea(423 K) = -22.8 kcal/mol; «DELTA»Sea = -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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

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

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

Quantity Value Units Method Reference Comment
Deltar15.10 ± 0.20kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar26.1cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.30 ± 0.40kcal/molTDAsSieck, 1985gas phase; B
Deltar6.3 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Deltar16.80 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar24.5cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.50 ± 0.20kcal/molTDAsSieck, 1985gas phase; B
Deltar8.6 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

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

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

Quantity Value Units Method Reference Comment
Deltar12.40 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar24.7cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.00 ± 0.40kcal/molTDAsSieck, 1985gas phase; B

C6H5NO2- + Water = (C6H5NO2- bullet Water)

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

Quantity Value Units Method Reference Comment
Deltar13.50 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.9cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.00 ± 0.20kcal/molTDAsSieck, 1985gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar22.60 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar26.8cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar14.60 ± 0.20kcal/molTDAsSieck, 1985gas phase; B

C6H5NO2- + Acetone = (C6H5NO2- bullet Acetone)

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

Quantity Value Units Method Reference Comment
Deltar14.20 ± 0.20kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar26.3cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.40 ± 0.40kcal/molTDAsSieck, 1985gas phase; B

C6H5NO2- + Tetrahydrofuran = (C6H5NO2- bullet Tetrahydrofuran)

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

Quantity Value Units Method Reference Comment
Deltar3.2 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.2308.PHPMSChowdhury, 1987gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar6.2 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.2343.PHPMSChowdhury, 1987gas phase; M

C6H5NO2- + Acetonitrile = (C6H5NO2- bullet Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar6.6 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.6343.PHPMSChowdhury, 1987gas phase; M

C6H5NO2- + Silicon tetrafluoride = C6H5F4NO2Si-

By formula: C6H5NO2- + F4Si = C6H5F4NO2Si-

Quantity Value Units Method Reference Comment
Deltar35.0 ± 2.0kcal/molTDAsWilliamson, Knighton, et al., 2001gas phase; at 150 C; B
Quantity Value Units Method Reference Comment
Deltar15.50 ± 0.60kcal/molTDAsWilliamson, Knighton, et al., 2001gas phase; at 150 C; B

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

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

Quantity Value Units Method Reference Comment
Deltar16.4kcal/molPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.2cal/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

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