p-Benzoquinone anion
- Formula: C6H4O2-
- Molecular weight: 108.0953
- IUPAC Standard InChI: InChI=1S/C6H3O2/c7-5-1-2-6(8)4-3-5/h1-3H/q-1
- IUPAC Standard InChIKey: DJKSPSYYMJJMFY-UHFFFAOYSA-N
- CAS Registry Number: 3225-29-4
- Chemical structure:
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | -302.3 ± 3.6 | kJ/mol | R-EA | Schiedt and Weinkauf, 1999 | Neutral T1 state is 2.3 eV up: Siegert, Vogeler, et al., 20112 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Ion clustering 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. 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
+
= (
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By formula: C6H4O2- + CH4O = (C6H4O2- • CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 23. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 23. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
+
= (
•
)
By formula: C6H4O2- + C2H6OS = (C6H4O2- • C2H6OS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 26. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 26. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
+
= (
•
)
By formula: C6H4O2- + C3H7NO = (C6H4O2- • C3H7NO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 18. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 18. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
+
= (
•
)
By formula: C6H4O2- + C2H3N = (C6H4O2- • C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 20. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 20. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
+
= C6H4F4O2Si-
By formula: C6H4O2- + F4Si = C6H4F4O2Si-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 100. ± 8.4 | kJ/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 55.2 ± 2.5 | kJ/mol | TDAs | Williamson, Knighton, et al., 2001 | gas 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
+
= (
•
)
By formula: C6H4O2- + CH4O = (C6H4O2- • CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 23. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 23. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
+
= (
•
)
By formula: C6H4O2- + C2H3N = (C6H4O2- • C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 20. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 20. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
+
= (
•
)
By formula: C6H4O2- + C2H6OS = (C6H4O2- • C2H6OS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 26. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 26. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
+
= (
•
)
By formula: C6H4O2- + C3H7NO = (C6H4O2- • C3H7NO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 18. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 18. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
+
= C6H4F4O2Si-
By formula: C6H4O2- + F4Si = C6H4F4O2Si-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 100. ± 8.4 | kJ/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 55.2 ± 2.5 | kJ/mol | TDAs | Williamson, Knighton, et al., 2001 | gas 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
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, References
- Symbols used in this document:
T Temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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