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Benzene, 1-nitro-3-(trifluoromethyl)- 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-741. ± 10.kJ/molR-EAChowdhury, Heinis, et al., 1986«DELTA»Gea(423 K) = -31.6 kcal/mol, «DELTA»S = -2.5 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:
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

C7H4F3NO2- + Dimethyl Sulfoxide = (C7H4F3NO2- bullet Dimethyl Sulfoxide)

By formula: C7H4F3NO2- + C2H6OS = (C7H4F3NO2- bullet C2H6OS)

Quantity Value Units Method Reference Comment
Deltar61.1 ± 8.4kJ/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Deltar93.3J/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar30. ± 8.4kJ/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H4F3NO2- + Acetonitrile = (C7H4F3NO2- bullet Acetonitrile)

By formula: C7H4F3NO2- + C2H3N = (C7H4F3NO2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar55.6 ± 8.4kJ/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Deltar97.9J/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar23. ± 8.4kJ/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H4F3NO2- + Methyl Alcohol = (C7H4F3NO2- bullet Methyl Alcohol)

By formula: C7H4F3NO2- + CH4O = (C7H4F3NO2- bullet CH4O)

Quantity Value Units Method Reference Comment
Deltar61.1 ± 8.4kJ/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B
Quantity Value Units Method Reference Comment
Deltar21. ± 6.7kJ/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H4F3NO2- + Formamide, N,N-dimethyl- = (C7H4F3NO2- bullet Formamide, N,N-dimethyl-)

By formula: C7H4F3NO2- + C3H7NO = (C7H4F3NO2- bullet C3H7NO)

Quantity Value Units Method Reference Comment
Deltar20. ± 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
20.343.PHPMSChowdhury, 1987gas phase; M

C7H4F3NO2- + Silicon tetrafluoride = C7H4F7NO2Si-

By formula: C7H4F3NO2- + F4Si = C7H4F7NO2Si-

Quantity Value Units Method Reference Comment
Deltar45.6 ± 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

C7H4F3NO2- + Methyl Alcohol = (C7H4F3NO2- bullet Methyl Alcohol)

By formula: C7H4F3NO2- + CH4O = (C7H4F3NO2- bullet CH4O)

Quantity Value Units Method Reference Comment
Deltar61.1 ± 8.4kJ/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B
Quantity Value Units Method Reference Comment
Deltar21. ± 6.7kJ/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H4F3NO2- + Acetonitrile = (C7H4F3NO2- bullet Acetonitrile)

By formula: C7H4F3NO2- + C2H3N = (C7H4F3NO2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar55.6 ± 8.4kJ/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Deltar97.9J/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar23. ± 8.4kJ/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H4F3NO2- + Dimethyl Sulfoxide = (C7H4F3NO2- bullet Dimethyl Sulfoxide)

By formula: C7H4F3NO2- + C2H6OS = (C7H4F3NO2- bullet C2H6OS)

Quantity Value Units Method Reference Comment
Deltar61.1 ± 8.4kJ/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Deltar93.3J/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar30. ± 8.4kJ/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H4F3NO2- + Formamide, N,N-dimethyl- = (C7H4F3NO2- bullet Formamide, N,N-dimethyl-)

By formula: C7H4F3NO2- + C3H7NO = (C7H4F3NO2- bullet C3H7NO)

Quantity Value Units Method Reference Comment
Deltar20. ± 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
20.343.PHPMSChowdhury, 1987gas phase; M

C7H4F3NO2- + Silicon tetrafluoride = C7H4F7NO2Si-

By formula: C7H4F3NO2- + F4Si = C7H4F7NO2Si-

Quantity Value Units Method Reference Comment
Deltar45.6 ± 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

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