Benzene, 1,2-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-17.1 ± 2.4kcal/molR-EAChowdhury, Heinis, et al., 1986ΔGea(423 K) = -36.9 kcal/mol; ΔSea (estimated) = -3.2 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

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Individual Reactions

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

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

Quantity Value Units Method Reference Comment
Δr3.3 ± 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
3.3343.PHPMSChowdhury, 1987gas phase; M

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

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

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

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

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

Quantity Value Units Method Reference Comment
Δr4.5 ± 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
4.5343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Acetonitrile = (C6H4N2O4- • Acetonitrile)

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

Quantity Value Units Method Reference Comment
Δr4.8 ± 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
4.8343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Silicon tetrafluoride = C6H4F4N2O4Si-

By formula: C6H4N2O4- + F4Si = C6H4F4N2O4Si-

Quantity Value Units Method Reference Comment
Δr7.20 ± 0.60kcal/molIMREWilliamson, Knighton, et al., 2001gas phase; at 150 C; B

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]

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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