Benzene, positive ion

• Formula: C₆H₆⁺
• Molecular weight: 78.1113
• Information on this page:
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
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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

C₆H₆⁺ +  = (C₆H₆⁺  )

By formula: C₆H₆⁺ + C₆H₆ = (C₆H₆⁺  C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	60. ± 30.	kJ/mol	AVG	N/A	Average of 7 out of 10 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
rS°	120.	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase
rS°	110.	J/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase
rS°	96.	J/mol*K	HPMS	Field, Hamlet, et al., 1969	gas phase

C₆H₆⁺ +  = (C₆H₆⁺  )

By formula: C₆H₆⁺ + C₆H₂F₄ = (C₆H₆⁺  C₆H₂F₄)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	46.9	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated
Quantity	Value	Units	Method	Reference	Comment
rS°	110.	J/mol*K	N/A	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated

Free energy of reaction

rG° (kJ/mol)	T (K)	Method	Reference	Comment
13.	300.	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated

C₆H₆⁺ +  = (C₆H₆⁺  )

By formula: C₆H₆⁺ + C₆HF₅ = (C₆H₆⁺  C₆HF₅)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	46.9	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated
Quantity	Value	Units	Method	Reference	Comment
rS°	110.	J/mol*K	N/A	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated

Free energy of reaction

rG° (kJ/mol)	T (K)	Method	Reference	Comment
13.	300.	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated

C₆H₆⁺ +  = (C₆H₆⁺  )

By formula: C₆H₆⁺ + C₆H₄F₂ = (C₆H₆⁺  C₆H₄F₂)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	63.6	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated
Quantity	Value	Units	Method	Reference	Comment
rS°	110.	J/mol*K	N/A	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated

Free energy of reaction

rG° (kJ/mol)	T (K)	Method	Reference	Comment
26.	330.	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated

C₆H₆⁺ +  = (C₆H₆⁺  )

By formula: C₆H₆⁺ + C₆F₆ = (C₆H₆⁺  C₆F₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	50.6	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated
Quantity	Value	Units	Method	Reference	Comment
rS°	110.	J/mol*K	N/A	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated

Free energy of reaction

rG° (kJ/mol)	T (K)	Method	Reference	Comment
17.	300.	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated

C₆H₆⁺ +  = (C₆H₆⁺  )

By formula: C₆H₆⁺ + C₆H₁₂ = (C₆H₆⁺  C₆H₁₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	46.9	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated
Quantity	Value	Units	Method	Reference	Comment
rS°	110.	J/mol*K	N/A	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated

Free energy of reaction

rG° (kJ/mol)	T (K)	Method	Reference	Comment
13.	295.	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated

C₆H₆⁺ +  = (C₆H₆⁺  )

By formula: C₆H₆⁺ + C₆H₅F = (C₆H₆⁺  C₆H₅F)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	28.	kJ/mol	PI	Ruhl, Bisling, et al., 1986	gas phase; from vIP of perpendicular dimer
rH°	71.1	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase
Quantity	Value	Units	Method	Reference	Comment
rS°	130.	J/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase

(C₆H₆⁺  2) +  = (C₆H₆⁺  3)

By formula: (C₆H₆⁺  2C₆H₆) + C₆H₆ = (C₆H₆⁺  3C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	29.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; Entropy change calculated or estimated
Quantity	Value	Units	Method	Reference	Comment
rS°	84.	J/mol*K	N/A	Hiraoka, Fujimaki, et al., 1991	gas phase; Entropy change calculated or estimated

(C₆H₆⁺  ) +  = (C₆H₆⁺  2)

By formula: (C₆H₆⁺  C₆H₆) + C₆H₆ = (C₆H₆⁺  2C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	33. ± 2.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase
Quantity	Value	Units	Method	Reference	Comment
rS°	82.8	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase

C₆H₆⁺ +  = (C₆H₆⁺  )

By formula: C₆H₆⁺ + C₆H₂F₄ = (C₆H₆⁺  C₆H₂F₄)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	50.2	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase
Quantity	Value	Units	Method	Reference	Comment
rS°	110.	J/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase

C₆H₆⁺ +  = (C₆H₆⁺  )

By formula: C₆H₆⁺ + C₆H₄F₂ = (C₆H₆⁺  C₆H₄F₂)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	58.2	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase
Quantity	Value	Units	Method	Reference	Comment
rS°	110.	J/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase

C₆H₆⁺ +  = (C₆H₆⁺  )

By formula: C₆H₆⁺ + C₆H₃F₃ = (C₆H₆⁺  C₆H₃F₃)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	51.9	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase
Quantity	Value	Units	Method	Reference	Comment
rS°	120.	J/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase

C₆H₆⁺ +  = (C₆H₆⁺  )

By formula: C₆H₆⁺ + CS₂ = (C₆H₆⁺  CS₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	51.0	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase
Quantity	Value	Units	Method	Reference	Comment
rS°	100.	J/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase

(C₆H₆⁺  10) +  = (C₆H₆⁺  11)

By formula: (C₆H₆⁺  10C₆H₆) + C₆H₆ = (C₆H₆⁺  11C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	33.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase

(C₆H₆⁺  11) +  = (C₆H₆⁺  12)

By formula: (C₆H₆⁺  11C₆H₆) + C₆H₆ = (C₆H₆⁺  12C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	33.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase

(C₆H₆⁺  12) +  = (C₆H₆⁺  13)

By formula: (C₆H₆⁺  12C₆H₆) + C₆H₆ = (C₆H₆⁺  13C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	35.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase

(C₆H₆⁺  13) +  = (C₆H₆⁺  14)

By formula: (C₆H₆⁺  13C₆H₆) + C₆H₆ = (C₆H₆⁺  14C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	34.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase

(C₆H₆⁺  9) +  = (C₆H₆⁺  10)

By formula: (C₆H₆⁺  9C₆H₆) + C₆H₆ = (C₆H₆⁺  10C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	33.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase

(C₆H₆⁺  5) +  = (C₆H₆⁺  6)

By formula: (C₆H₆⁺  5C₆H₆) + C₆H₆ = (C₆H₆⁺  6C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	36.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase

(C₆H₆⁺  6) +  = (C₆H₆⁺  7)

By formula: (C₆H₆⁺  6C₆H₆) + C₆H₆ = (C₆H₆⁺  7C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	35.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase

(C₆H₆⁺  7) +  = (C₆H₆⁺  8)

By formula: (C₆H₆⁺  7C₆H₆) + C₆H₆ = (C₆H₆⁺  8C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	33.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase

(C₆H₆⁺  8) +  = (C₆H₆⁺  9)

By formula: (C₆H₆⁺  8C₆H₆) + C₆H₆ = (C₆H₆⁺  9C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	33.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase

C₆H₆⁺ +  = (C₆H₆⁺  )

By formula: C₆H₆⁺ + C₆H₄F₂ = (C₆H₆⁺  C₆H₄F₂)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
rH°	47.3	kJ/mol	MPI	Ernstberger, Krause, et al., 1990	gas phase

C₆H₆⁺ +  = (C₆H₆⁺  )

By formula: C₆H₆⁺ + HCl = (C₆H₆⁺  HCl)

Quantity	Value	Units	Method	Reference	Comment
rH°	31.	kJ/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
  rG°	Free energy of reaction at standard conditions
  rH°	Enthalpy of reaction at standard conditions
  rS°	Entropy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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