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Benzene, 1,3-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
Deltafgas-101. ± 9.6kJ/molR-EAChowdhury, Heinis, et al., 1986«DELTA»Gea(423 K) = -36.9 kcal/mol; «DELTA»Sea (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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess

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

C6H4N2O4- + F6S- = (C6H4N2O4- bullet F6S-)

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

Quantity Value Units Method Reference Comment
Deltar35.kJ/molPHPMSChowdhury and Kebarle, 1986gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<; M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/AChowdhury and Kebarle, 1986gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
7.1334.PHPMSChowdhury and Kebarle, 1986gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<; M

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

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

Quantity Value Units Method Reference Comment
Deltar16. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
16.343.PHPMSChowdhury, 1987gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar25. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
25.343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Acetonitrile = (C6H4N2O4- bullet Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar18. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
18.343.PHPMSChowdhury, 1987gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar<35.1kJ/molIMRBChowdhury and Kebarle, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar<7.11kJ/molIMRBChowdhury and Kebarle, 1986gas phase; B

C6H4N2O4- + Silicon tetrafluoride = C6H4F4N2O4Si-

By formula: C6H4N2O4- + F4Si = C6H4F4N2O4Si-

Quantity Value Units Method Reference Comment
Deltar34.3 ± 2.5kJ/molIMREWilliamson, Knighton, et al., 2001gas phase; at 150 C; B

Ion clustering data

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

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

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

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

Quantity Value Units Method Reference Comment
Deltar16. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
16.343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Acetonitrile = (C6H4N2O4- bullet Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar18. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
18.343.PHPMSChowdhury, 1987gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar25. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
25.343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Silicon tetrafluoride = C6H4F4N2O4Si-

By formula: C6H4N2O4- + F4Si = C6H4F4N2O4Si-

Quantity Value Units Method Reference Comment
Deltar34.3 ± 2.5kJ/molIMREWilliamson, Knighton, et al., 2001gas phase; at 150 C; B

C6H4N2O4- + F6S- = (C6H4N2O4- bullet F6S-)

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

Quantity Value Units Method Reference Comment
Deltar35.kJ/molPHPMSChowdhury and Kebarle, 1986gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<; M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/AChowdhury and Kebarle, 1986gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
7.1334.PHPMSChowdhury and Kebarle, 1986gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<; M

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

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

Quantity Value Units Method Reference Comment
Deltar<35.1kJ/molIMRBChowdhury and Kebarle, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar<7.11kJ/molIMRBChowdhury and Kebarle, 1986gas 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]

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

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, References