Benzene, positive ion
- Formula: C6H6+
- Molecular weight: 78.1113
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Reaction thermochemistry data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: 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
By formula: C6H6+ + C6H6 = (C6H6+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 8. | kcal/mol | AVG | N/A | Average of 7 out of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.8 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase |
ΔrS° | 27. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase |
ΔrS° | 23. | cal/mol*K | HPMS | Field, Hamlet, et al., 1969 | gas phase |
By formula: C6H6+ + C6H2F4 = (C6H6+ • C6H2F4)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27. | cal/mol*K | N/A | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.1 | 300. | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated |
By formula: C6H6+ + C6HF5 = (C6H6+ • C6HF5)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27. | cal/mol*K | N/A | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.1 | 300. | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated |
By formula: C6H6+ + C6H4F2 = (C6H6+ • C6H4F2)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27. | cal/mol*K | N/A | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.3 | 330. | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated |
By formula: C6H6+ + C6F6 = (C6H6+ • C6F6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27. | cal/mol*K | N/A | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.0 | 300. | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated |
By formula: C6H6+ + C6H12 = (C6H6+ • C6H12)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27. | cal/mol*K | N/A | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.2 | 295. | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated |
By formula: C6H6+ + C6H5F = (C6H6+ • C6H5F)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.6 | kcal/mol | PI | Ruhl, Bisling, et al., 1986 | gas phase; from vIP of perpendicular dimer |
ΔrH° | 17.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase |
By formula: (C6H6+ • 2C6H6) + C6H6 = (C6H6+ • 3C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.0 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Fujimaki, et al., 1991 | gas phase; Entropy change calculated or estimated |
By formula: (C6H6+ • C6H6) + C6H6 = (C6H6+ • 2C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.8 ± 0.5 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.8 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase |
By formula: C6H6+ + C6H2F4 = (C6H6+ • C6H2F4)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase |
By formula: C6H6+ + C6H4F2 = (C6H6+ • C6H4F2)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase |
By formula: C6H6+ + C6H3F3 = (C6H6+ • C6H3F3)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase |
By formula: C6H6+ + CS2 = (C6H6+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase |
By formula: (C6H6+ • 10C6H6) + C6H6 = (C6H6+ • 11C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.8 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase |
By formula: (C6H6+ • 11C6H6) + C6H6 = (C6H6+ • 12C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.0 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase |
By formula: (C6H6+ • 12C6H6) + C6H6 = (C6H6+ • 13C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.3 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase |
By formula: (C6H6+ • 13C6H6) + C6H6 = (C6H6+ • 14C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.1 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase |
By formula: (C6H6+ • 9C6H6) + C6H6 = (C6H6+ • 10C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.8 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase |
By formula: (C6H6+ • 5C6H6) + C6H6 = (C6H6+ • 6C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.5 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase |
By formula: (C6H6+ • 6C6H6) + C6H6 = (C6H6+ • 7C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.3 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase |
By formula: (C6H6+ • 7C6H6) + C6H6 = (C6H6+ • 8C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.0 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase |
By formula: (C6H6+ • 8C6H6) + C6H6 = (C6H6+ • 9C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.9 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase |
By formula: C6H6+ + C6H4F2 = (C6H6+ • C6H4F2)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.3 | kcal/mol | MPI | Ernstberger, Krause, et al., 1990 | gas phase |
By formula: C6H6+ + HCl = (C6H6+ • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.3 | kcal/mol | PI | Walters, Grover, et al., 1985 | gas phase |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hiraoka, Fujimaki, et al., 1991
Hiraoka, K.; Fujimaki, S.; Aruga, K.; Yamabe, S.,
Stability and Structure of Benzene Dimer Cation (C6H6)2+,
J. Chem. Phys., 1991, 95, 11, 8413, https://doi.org/10.1063/1.461270
. [all data]
Meot-Ner (Mautner), Hamlet, et al., 1978
Meot-Ner (Mautner), M.; Hamlet, P.; Hunter, E.P.; Field, F.H.,
Bonding Energies in Association Ions of Aromatic Molecules. Correlations with Ionization Energies,
J. Am. Chem. Soc., 1978, 100, 17, 5466, https://doi.org/10.1021/ja00485a034
. [all data]
Field, Hamlet, et al., 1969
Field, F.H.; Hamlet, P.; Libby, W.F.,
Effect of Temperature on the Mass Spectrum of Benzene at High Pressures,
J. Am. Chem. Soc., 1969, 91, 11, 2839, https://doi.org/10.1021/ja01039a003
. [all data]
Ruhl, Bisling, et al., 1986
Ruhl, E.; Bisling, P.G.F.; Brutschy, B.; Baumgartel, H.,
Photoionization of Aromatic van der Waals Complexes in a Supersonic Jet,
Chem. Phys. Lett., 1986, 126, 3-4, 232, https://doi.org/10.1016/S0009-2614(86)80075-6
. [all data]
Beck and Hecht, 1991
Beck, S.M.; Hecht, J.H.,
Photofragmentation of Mass - Selected (C6H6)n+ Clusters: Measurement of Monomer - Cluster Binding Energy for n = 7 - 15,
J. Chem. Phys., 1991, 96, 3, 1975, https://doi.org/10.1063/1.462099
. [all data]
Ernstberger, Krause, et al., 1990
Ernstberger, B.; Krause, H.; Kiermeier, A.; Neusser, H.J.,
Multiphoton ionization and dissociation of mixed van der Waals clusters in a linear reflectron time-of-flight mass spectrometer,
J. Chem. Phys., 1990, 92, 9, 5285, https://doi.org/10.1063/1.458603
. [all data]
Walters, Grover, et al., 1985
Walters, E.A.; Grover, J.R.; White, M.G.; Hui, E.T.,
On the Structure and Thermochemistry of the van der Waals Molecule C6H6.HCl and its Photoion (C6H6.HCl)+,
J. Phys. Chem., 1985, 89, 18, 3814, https://doi.org/10.1021/j100264a009
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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