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Benzene, positive ion


Reaction thermochemistry data

Go To: Top, 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 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+ + Benzene = (C6H6+ bullet Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar14. ± 8.kcal/molAVGN/AAverage of 7 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar28.8cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase
Deltar27.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Deltar23.cal/mol*KHPMSField, Hamlet, et al., 1969gas 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
Deltar11.2kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar27.cal/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.1300.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
Deltar11.2kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar27.cal/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.1300.PHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

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
Deltar15.2kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar27.cal/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.3330.PHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

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
Deltar12.1kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar27.cal/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.0300.PHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

C6H6+ + Cyclohexane = (C6H6+ bullet Cyclohexane)

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

Quantity Value Units Method Reference Comment
Deltar11.2kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar27.cal/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.2295.PHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

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
Deltar6.6kcal/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer
Deltar17.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar30.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas 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
Deltar7.0kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/AHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated

(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
Deltar7.8 ± 0.5kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase
Quantity Value Units Method Reference Comment
Deltar19.8cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase

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
Deltar12.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar27.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase

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
Deltar13.9kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase

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
Deltar12.4kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar28.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase

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

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

Quantity Value Units Method Reference Comment
Deltar12.2kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar24.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas 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
Deltar7.8kcal/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
Deltar8.0kcal/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
Deltar8.3kcal/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
Deltar8.1kcal/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
Deltar7.8kcal/molPDissBeck and Hecht, 1991gas phase

(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
Deltar8.5kcal/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
Deltar8.3kcal/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
Deltar8.0kcal/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
Deltar7.9kcal/molPDissBeck and Hecht, 1991gas 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
Deltar11.3kcal/molMPIErnstberger, Krause, et al., 1990gas phase

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

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

Quantity Value Units Method Reference Comment
Deltar7.3kcal/molPIWalters, Grover, et al., 1985gas phase

Ion clustering data

Go To: Top, 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 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
Deltar12.2kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar24.cal/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
Deltar12.1kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar27.cal/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.0300.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
Deltar11.2kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar27.cal/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.1300.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
Deltar12.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar27.cal/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
Deltar11.2kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar27.cal/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.1300.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
Deltar12.4kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar28.cal/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
Deltar15.2kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar27.cal/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.3330.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
Deltar13.9kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar26.cal/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
Deltar11.3kcal/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
Deltar6.6kcal/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer
Deltar17.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Quantity Value Units Method Reference Comment
Deltar30.cal/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
Deltar14. ± 8.kcal/molAVGN/AAverage of 7 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar28.8cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase
Deltar27.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase
Deltar23.cal/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
Deltar7.8 ± 0.5kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase
Quantity Value Units Method Reference Comment
Deltar19.8cal/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
Deltar7.0kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar20.cal/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
Deltar8.5kcal/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
Deltar8.3kcal/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
Deltar8.0kcal/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
Deltar7.9kcal/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
Deltar7.8kcal/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
Deltar7.8kcal/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
Deltar8.0kcal/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
Deltar8.3kcal/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
Deltar8.1kcal/molPDissBeck and Hecht, 1991gas phase

C6H6+ + Cyclohexane = (C6H6+ bullet Cyclohexane)

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

Quantity Value Units Method Reference Comment
Deltar11.2kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar27.cal/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.2295.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
Deltar7.3kcal/molPIWalters, Grover, et al., 1985gas phase

References

Go To: Top, 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.

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

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