3-Nitrotoluene 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-64. ± 10.kJ/molR-EAChowdhury, Heinis, et al., 1986ΔGea(423 K) = -22.1 kcal/mol; ΔSea (estimated) = -1.7 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

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

C7H7NO2- + Tetrahydrofuran = (C7H7NO2- • Tetrahydrofuran)

By formula: C7H7NO2- + C4H8O = (C7H7NO2- • 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

C7H7NO2- + Methyl Alcohol = (C7H7NO2- • Methyl Alcohol)

By formula: C7H7NO2- + CH4O = (C7H7NO2- • CH4O)

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

C7H7NO2- + Formamide, N,N-dimethyl- = (C7H7NO2- • Formamide, N,N-dimethyl-)

By formula: C7H7NO2- + C3H7NO = (C7H7NO2- • 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

C7H7NO2- + Silicon tetrafluoride = C7H7F4NO2Si-

By formula: C7H7NO2- + F4Si = C7H7F4NO2Si-

Quantity Value Units Method Reference Comment
Δr63.6 ± 2.5kJ/molIMREWilliamson, Knighton, et al., 2001gas phase; at 150 C; B

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

C7H7NO2- + Methyl Alcohol = (C7H7NO2- • Methyl Alcohol)

By formula: C7H7NO2- + CH4O = (C7H7NO2- • CH4O)

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

C7H7NO2- + Formamide, N,N-dimethyl- = (C7H7NO2- • Formamide, N,N-dimethyl-)

By formula: C7H7NO2- + C3H7NO = (C7H7NO2- • 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

C7H7NO2- + Tetrahydrofuran = (C7H7NO2- • Tetrahydrofuran)

By formula: C7H7NO2- + C4H8O = (C7H7NO2- • 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

C7H7NO2- + Silicon tetrafluoride = C7H7F4NO2Si-

By formula: C7H7NO2- + F4Si = C7H7F4NO2Si-

Quantity Value Units Method Reference Comment
Δr63.6 ± 2.5kJ/molIMREWilliamson, Knighton, et al., 2001gas phase; at 150 C; 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]

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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