Benzene, nitro- anion


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

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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, Ion clustering data, Notes

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

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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