Benzene, 1,4-dinitro- 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-136. ± 10.kJ/molR-EAChowdury, Grimsrud, et al., 1986ΔGea(423 K) = -44.3 kcal/mol; ΔSea = -4.5 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess

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Individual Reactions

C6H4N2O4- + F6S- = (C6H4N2O4- • F6S-)

By formula: C6H4N2O4- + F6S- = (C6H4N2O4- • F6S-)

Quantity Value Units Method Reference Comment
Δr36.kJ/molPHPMSChowdhury and Kebarle, 1986gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/AChowdhury and Kebarle, 1986gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
7.9334.PHPMSChowdhury and Kebarle, 1986gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M

C6H4N2O4- + Methyl Alcohol = (C6H4N2O4- • Methyl Alcohol)

By formula: C6H4N2O4- + CH4O = (C6H4N2O4- • CH4O)

Quantity Value Units Method Reference Comment
Δr9.6 ± 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
9.6343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Dimethyl Sulfoxide = (C6H4N2O4- • Dimethyl Sulfoxide)

By formula: C6H4N2O4- + C2H6OS = (C6H4N2O4- • C2H6OS)

Quantity Value Units Method Reference Comment
Δr18. ± 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
18.343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Formamide, N,N-dimethyl- = (C6H4N2O4- • Formamide, N,N-dimethyl-)

By formula: C6H4N2O4- + C3H7NO = (C6H4N2O4- • C3H7NO)

Quantity Value Units Method Reference Comment
Δr10. ± 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
10.343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Acetonitrile = (C6H4N2O4- • Acetonitrile)

By formula: C6H4N2O4- + C2H3N = (C6H4N2O4- • C2H3N)

Quantity Value Units Method Reference Comment
Δr13. ± 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
13.343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Silicon tetrafluoride = C6H4F4N2O4Si-

By formula: C6H4N2O4- + F4Si = C6H4F4N2O4Si-

Quantity Value Units Method Reference Comment
Δr87.9 ± 4.2kJ/molTDAsWilliamson, Knighton, et al., 2001gas phase; at 150 C; B
Quantity Value Units Method Reference Comment
Δr17.6 ± 2.5kJ/molTDAsWilliamson, Knighton, et al., 2001gas phase; at 150 C; B

C6H4N2O4- + Sulfur hexafluoride = (C6H4N2O4- • Sulfur hexafluoride)

By formula: C6H4N2O4- + F6S = (C6H4N2O4- • F6S)

Quantity Value Units Method Reference Comment
Δr<35.6kJ/molIMRBChowdhury and Kebarle, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr<7.95kJ/molIMRBChowdhury and Kebarle, 1986gas phase; B

References

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

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

Chowdury, Grimsrud, et al., 1986
Chowdury, S.; Grimsrud, E.P.; Heinis, T.; Kebarle, P., Electron affinities of perfluorobenzene and perfluorophenyl compounds, J. Am. Chem. Soc., 1986, 108, 3630. [all data]

Chowdhury and Kebarle, 1986
Chowdhury, S.; Kebarle, P., Role of Binding Energies in A-.B and A.B- Complexes in the Kinetics of Gas Phase Electron Transfer Reactions:A- + B = A + B- Involving Perfluoro Compounds: SF6, C6F11CF3, J. Chem. Phys., 1986, 85, 9, 4989, https://doi.org/10.1063/1.451687 . [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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