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p-Benzoquinone 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-72.26 ± 0.85kcal/molR-EASchiedt and Weinkauf, 1999Neutral T1 state is 2.3 eV up: Siegert, Vogeler, et al., 20112

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

p-Benzoquinone anion + Methyl Alcohol = (p-Benzoquinone anion bullet Methyl Alcohol)

By formula: C6H4O2- + CH4O = (C6H4O2- bullet CH4O)

Quantity Value Units Method Reference Comment
Deltar5.5 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.5343.PHPMSChowdhury, 1987gas phase; M

p-Benzoquinone anion + Dimethyl Sulfoxide = (p-Benzoquinone anion bullet Dimethyl Sulfoxide)

By formula: C6H4O2- + C2H6OS = (C6H4O2- bullet C2H6OS)

Quantity Value Units Method Reference Comment
Deltar6.2 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.2343.PHPMSChowdhury, 1987gas phase; M

p-Benzoquinone anion + Formamide, N,N-dimethyl- = (p-Benzoquinone anion bullet Formamide, N,N-dimethyl-)

By formula: C6H4O2- + C3H7NO = (C6H4O2- bullet C3H7NO)

Quantity Value Units Method Reference Comment
Deltar4.3 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.3343.PHPMSChowdhury, 1987gas phase; M

p-Benzoquinone anion + Acetonitrile = (p-Benzoquinone anion bullet Acetonitrile)

By formula: C6H4O2- + C2H3N = (C6H4O2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar4.8 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.8343.PHPMSChowdhury, 1987gas phase; M

p-Benzoquinone anion + Silicon tetrafluoride = C6H4F4O2Si-

By formula: C6H4O2- + F4Si = C6H4F4O2Si-

Quantity Value Units Method Reference Comment
Deltar24.0 ± 2.0kcal/molTDAsWilliamson, Knighton, et al., 2001gas phase; at 150 C; B
Quantity Value Units Method Reference Comment
Deltar13.20 ± 0.60kcal/molTDAsWilliamson, 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

p-Benzoquinone anion + Methyl Alcohol = (p-Benzoquinone anion bullet Methyl Alcohol)

By formula: C6H4O2- + CH4O = (C6H4O2- bullet CH4O)

Quantity Value Units Method Reference Comment
Deltar5.5 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.5343.PHPMSChowdhury, 1987gas phase; M

p-Benzoquinone anion + Acetonitrile = (p-Benzoquinone anion bullet Acetonitrile)

By formula: C6H4O2- + C2H3N = (C6H4O2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar4.8 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.8343.PHPMSChowdhury, 1987gas phase; M

p-Benzoquinone anion + Dimethyl Sulfoxide = (p-Benzoquinone anion bullet Dimethyl Sulfoxide)

By formula: C6H4O2- + C2H6OS = (C6H4O2- bullet C2H6OS)

Quantity Value Units Method Reference Comment
Deltar6.2 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.2343.PHPMSChowdhury, 1987gas phase; M

p-Benzoquinone anion + Formamide, N,N-dimethyl- = (p-Benzoquinone anion bullet Formamide, N,N-dimethyl-)

By formula: C6H4O2- + C3H7NO = (C6H4O2- bullet C3H7NO)

Quantity Value Units Method Reference Comment
Deltar4.3 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.3343.PHPMSChowdhury, 1987gas phase; M

p-Benzoquinone anion + Silicon tetrafluoride = C6H4F4O2Si-

By formula: C6H4O2- + F4Si = C6H4F4O2Si-

Quantity Value Units Method Reference Comment
Deltar24.0 ± 2.0kcal/molTDAsWilliamson, Knighton, et al., 2001gas phase; at 150 C; B
Quantity Value Units Method Reference Comment
Deltar13.20 ± 0.60kcal/molTDAsWilliamson, 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.

Schiedt and Weinkauf, 1999
Schiedt, J.; Weinkauf, R., Resonant Photodetachment via Shape and Feshbach Resonances: p-Benzoquinone Anions as a Model System, J. Chem. Phys., 1999, 110, 1, 304, https://doi.org/10.1063/1.478066 . [all data]

Siegert, Vogeler, et al., 2011
Siegert, S.; Vogeler, F.; Marian, C.M.; Weinkauf, R., Throwing light on dark states of alpha-oligothiophenes of chain lengths 2 to 6: radical anion photoelectron spectroscopy and excited-state theory, Phys. Chem. Chem. Phys., 2011, 13, 21, 10350-10363, https://doi.org/10.1039/c0cp02712j . [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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