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-7.1 ± 2.3kcal/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

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- • Methyl Alcohol)

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

Quantity Value Units Method Reference Comment
Δr15.10 ± 0.20kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.1cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr7.30 ± 0.40kcal/molTDAsSieck, 1985gas phase; B
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

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

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

Quantity Value Units Method Reference Comment
Δr16.80 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.5cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr9.50 ± 0.20kcal/molTDAsSieck, 1985gas phase; B
Δr8.6 ± 1.6kcal/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
Δr12.40 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.7cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr5.00 ± 0.40kcal/molTDAsSieck, 1985gas phase; B

C6H5NO2- + Water = (C6H5NO2- • Water)

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

Quantity Value Units Method Reference Comment
Δr13.50 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.9cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr7.00 ± 0.20kcal/molTDAsSieck, 1985gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr22.60 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.8cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr14.60 ± 0.20kcal/molTDAsSieck, 1985gas phase; B

C6H5NO2- + Acetone = (C6H5NO2- • Acetone)

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

Quantity Value Units Method Reference Comment
Δr14.20 ± 0.20kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr6.40 ± 0.40kcal/molTDAsSieck, 1985gas phase; B

C6H5NO2- + Tetrahydrofuran = (C6H5NO2- • Tetrahydrofuran)

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

Quantity Value Units Method Reference Comment
Δr3.2 ± 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
3.2308.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
Δr6.2 ± 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
6.2343.PHPMSChowdhury, 1987gas phase; M

C6H5NO2- + Acetonitrile = (C6H5NO2- • Acetonitrile)

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

Quantity Value Units Method Reference Comment
Δr6.6 ± 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
6.6343.PHPMSChowdhury, 1987gas phase; M

C6H5NO2- + Silicon tetrafluoride = C6H5F4NO2Si-

By formula: C6H5NO2- + F4Si = C6H5F4NO2Si-

Quantity Value Units Method Reference Comment
Δr35.0 ± 2.0kcal/molTDAsWilliamson, Knighton, et al., 2001gas phase; at 150 C; B
Quantity Value Units Method Reference Comment
Δr15.50 ± 0.60kcal/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
Δr16.4kcal/molPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr27.2cal/mol*KPHPMSSieck, 1985gas phase; M

Ion clustering 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

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

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

Quantity Value Units Method Reference Comment
Δr15.10 ± 0.20kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.1cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr7.30 ± 0.40kcal/molTDAsSieck, 1985gas phase; B
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

C6H5NO2- + Acetonitrile = (C6H5NO2- • Acetonitrile)

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

Quantity Value Units Method Reference Comment
Δr6.6 ± 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
6.6343.PHPMSChowdhury, 1987gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr22.60 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.8cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr14.60 ± 0.20kcal/molTDAsSieck, 1985gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr16.80 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.5cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr9.50 ± 0.20kcal/molTDAsSieck, 1985gas phase; B
Δr8.6 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C6H5NO2- + Acetone = (C6H5NO2- • Acetone)

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

Quantity Value Units Method Reference Comment
Δr14.20 ± 0.20kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr6.40 ± 0.40kcal/molTDAsSieck, 1985gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr6.2 ± 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
6.2343.PHPMSChowdhury, 1987gas phase; M

C6H5NO2- + Tetrahydrofuran = (C6H5NO2- • Tetrahydrofuran)

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

Quantity Value Units Method Reference Comment
Δr3.2 ± 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
3.2308.PHPMSChowdhury, 1987gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr16.4kcal/molPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr27.2cal/mol*KPHPMSSieck, 1985gas phase; M

C6H5NO2- + Silicon tetrafluoride = C6H5F4NO2Si-

By formula: C6H5NO2- + F4Si = C6H5F4NO2Si-

Quantity Value Units Method Reference Comment
Δr35.0 ± 2.0kcal/molTDAsWilliamson, Knighton, et al., 2001gas phase; at 150 C; B
Quantity Value Units Method Reference Comment
Δr15.50 ± 0.60kcal/molTDAsWilliamson, Knighton, et al., 2001gas phase; at 150 C; B

C6H5NO2- + Water = (C6H5NO2- • Water)

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

Quantity Value Units Method Reference Comment
Δr13.50 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.9cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr7.00 ± 0.20kcal/molTDAsSieck, 1985gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr12.40 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.7cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr5.00 ± 0.40kcal/molTDAsSieck, 1985gas phase; B

References

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

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, Ion clustering data, References