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Benzene, positive ion


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 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C6H6+ + Carbon disulfide = (C6H6+ bullet Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Deltar51.0kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase

C6H6+ + Benzene, hexafluoro- = (C6H6+ bullet Benzene, hexafluoro-)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar50.6kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
17.300.PHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

C6H6+ + Benzene, pentafluoro- = (C6H6+ bullet Benzene, pentafluoro-)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar46.9kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
13.300.PHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

C6H6+ + Benzene, 1,2,4,5-tetrafluoro- = (C6H6+ bullet Benzene, 1,2,4,5-tetrafluoro-)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar50.2kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase

C6H6+ + Benzene, 1,2,3,5-tetrafluoro- = (C6H6+ bullet Benzene, 1,2,3,5-tetrafluoro-)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar46.9kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
13.300.PHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

C6H6+ + 1,3,5-Trifluorobenzene = (C6H6+ bullet 1,3,5-Trifluorobenzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar51.9kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase

C6H6+ + Benzene, 1,2-difluoro- = (C6H6+ bullet Benzene, 1,2-difluoro-)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar63.6kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
26.330.PHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

C6H6+ + Benzene, 1,3-difluoro- = (C6H6+ bullet Benzene, 1,3-difluoro-)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar58.2kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase

C6H6+ + Benzene, 1,4-difluoro- = (C6H6+ bullet Benzene, 1,4-difluoro-)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar47.3kJ/molMPIErnstberger, Krause, et al., 1990gas phase

C6H6+ + Benzene, fluoro- = (C6H6+ bullet Benzene, fluoro-)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar28.kJ/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer
Deltar71.1kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar130.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase

C6H6+ + Benzene = (C6H6+ bullet Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar60. ± 30.kJ/molAVGN/AAverage of 7 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase
Deltar110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Deltar96.J/mol*KHPMSField, Hamlet, et al., 1969gas phase

(C6H6+ bullet Benzene) + Benzene = (C6H6+ bullet 2Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar33. ± 2.kJ/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase
Quantity Value Units Method Reference Comment
Deltar82.8J/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase

(C6H6+ bullet 2Benzene) + Benzene = (C6H6+ bullet 3Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar29.kJ/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/AHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated

(C6H6+ bullet 5Benzene) + Benzene = (C6H6+ bullet 6Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar36.kJ/molPDissBeck and Hecht, 1991gas phase

(C6H6+ bullet 6Benzene) + Benzene = (C6H6+ bullet 7Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar35.kJ/molPDissBeck and Hecht, 1991gas phase

(C6H6+ bullet 7Benzene) + Benzene = (C6H6+ bullet 8Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar33.kJ/molPDissBeck and Hecht, 1991gas phase

(C6H6+ bullet 8Benzene) + Benzene = (C6H6+ bullet 9Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar33.kJ/molPDissBeck and Hecht, 1991gas phase

(C6H6+ bullet 9Benzene) + Benzene = (C6H6+ bullet 10Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar33.kJ/molPDissBeck and Hecht, 1991gas phase

(C6H6+ bullet 10Benzene) + Benzene = (C6H6+ bullet 11Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar33.kJ/molPDissBeck and Hecht, 1991gas phase

(C6H6+ bullet 11Benzene) + Benzene = (C6H6+ bullet 12Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar33.kJ/molPDissBeck and Hecht, 1991gas phase

(C6H6+ bullet 12Benzene) + Benzene = (C6H6+ bullet 13Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar35.kJ/molPDissBeck and Hecht, 1991gas phase

(C6H6+ bullet 13Benzene) + Benzene = (C6H6+ bullet 14Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar34.kJ/molPDissBeck and Hecht, 1991gas phase

C6H6+ + Cyclohexane = (C6H6+ bullet Cyclohexane)

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

Quantity Value Units Method Reference Comment
Deltar46.9kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
13.295.PHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

C6H6+ + Hydrogen chloride = (C6H6+ bullet Hydrogen chloride)

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

Quantity Value Units Method Reference Comment
Deltar31.kJ/molPIWalters, Grover, et al., 1985gas phase

References

Go To: Top, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

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]

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]

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]

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]

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]

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

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