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Hexafluorobenzene

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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 as indicated in comments:
B - J.E. Bartmess
M - M. M. Meot-Ner (Mautner) and S. G. Lias
RCD - R.C. Dunbar

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Clustering reactions

Au- + Hexafluorobenzene = C6AuF6-

By formula: Au- + C6F6 = C6AuF6-

QuantityValueUnitsMethodReferenceComment
Deltar100. ± 17.kJ/molN/AHo and Dunbar, 1999gas phase; B

Bromine anion + Hexafluorobenzene = (Bromine anion bullet Hexafluorobenzene)

By formula: Br- + C6F6 = (Br- bullet C6F6)

QuantityValueUnitsMethodReferenceComment
Deltar58.2 ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
QuantityValueUnitsMethodReferenceComment
Deltar81.2J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
QuantityValueUnitsMethodReferenceComment
Deltar34. ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

(Bromine anion bullet Hexafluorobenzene) + Hexafluorobenzene = (Bromine anion bullet 2Hexafluorobenzene)

By formula: (Br- bullet C6F6) + C6F6 = (Br- bullet 2C6F6)

QuantityValueUnitsMethodReferenceComment
Deltar51.0kJ/molPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
QuantityValueUnitsMethodReferenceComment
Deltar102.J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M

C6F6+ + Hexafluorobenzene = (C6F6+ bullet Hexafluorobenzene)

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

Bond type: Charge transfer bond (positive ion)

QuantityValueUnitsMethodReferenceComment
Deltar30.kJ/molPHPMSHiraoka, Mizuse, et al., 1990gas phase; M
QuantityValueUnitsMethodReferenceComment
Deltar83.7J/mol*KPHPMSHiraoka, Mizuse, et al., 1990gas phase; M

C6F6- + Hexafluorobenzene = (C6F6- bullet Hexafluorobenzene)

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

QuantityValueUnitsMethodReferenceComment
Deltar39. ± 19.kJ/molN/ANakajima, Taguwa, et al., 1993gas phase; Vertical Detachment Energy: 1.760±0.040 eV; B
Deltar43.5 ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1990gas phase; B,M
QuantityValueUnitsMethodReferenceComment
Deltar111.J/mol*KPHPMSHiraoka, Mizuse, et al., 1990gas phase; M
QuantityValueUnitsMethodReferenceComment
Deltar10. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1990gas phase; B

C6H6+ + Hexafluorobenzene = (C6H6+ bullet Hexafluorobenzene)

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

Bond type: Charge transfer bond (positive ion)

QuantityValueUnitsMethodReferenceComment
Deltar50.6kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M
QuantityValueUnitsMethodReferenceComment
Deltar110.J/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

C6H7N+ + Hexafluorobenzene = (C6H7N+ bullet Hexafluorobenzene)

By formula: C6H7N+ + C6F6 = (C6H7N+ bullet C6F6)

Bond type: Charge transfer bond (positive ion)

QuantityValueUnitsMethodReferenceComment
Deltar47.3kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
QuantityValueUnitsMethodReferenceComment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
QuantityValueUnitsMethodReferenceComment
Deltar15.kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Chlorine anion + Hexafluorobenzene = (Chlorine anion bullet Hexafluorobenzene)

By formula: Cl- + C6F6 = (Cl- bullet C6F6)

QuantityValueUnitsMethodReferenceComment
Deltar70.3 ± 4.2kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B,M
Deltar64.9 ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
QuantityValueUnitsMethodReferenceComment
Deltar94.1J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Deltar113.J/mol*KPHPMSChowdhury and Kebarle, 1986gas phase; M
QuantityValueUnitsMethodReferenceComment
Deltar37. ± 6.7kJ/molTDAsChowdhury and Kebarle, 1986gas phase; B
Deltar36. ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

(Chlorine anion bullet Hexafluorobenzene) + Hexafluorobenzene = (Chlorine anion bullet 2Hexafluorobenzene)

By formula: (Cl- bullet C6F6) + C6F6 = (Cl- bullet 2C6F6)

QuantityValueUnitsMethodReferenceComment
Deltar57.7kJ/molPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
QuantityValueUnitsMethodReferenceComment
Deltar110.J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M

Chromium ion (1+) + Hexafluorobenzene = (Chromium ion (1+) bullet Hexafluorobenzene)

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

QuantityValueUnitsMethodReferenceComment
Deltar79.1kJ/molRAKRyzhov, 1999RCD

Fluorine anion + Hexafluorobenzene = (Fluorine anion bullet Hexafluorobenzene)

By formula: F- + C6F6 = (F- bullet C6F6)

QuantityValueUnitsMethodReferenceComment
Deltar115. ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1987, 2gas phase; B,M
QuantityValueUnitsMethodReferenceComment
Deltar99.2J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
QuantityValueUnitsMethodReferenceComment
Deltar85.4 ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1987, 2gas phase; B

(Fluorine anion bullet Hexafluorobenzene) + Hexafluorobenzene = (Fluorine anion bullet 2Hexafluorobenzene)

By formula: (F- bullet C6F6) + C6F6 = (F- bullet 2C6F6)

QuantityValueUnitsMethodReferenceComment
Deltar31.kJ/molPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
QuantityValueUnitsMethodReferenceComment
Deltar52.7J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M

Iodide + Hexafluorobenzene = (Iodide bullet Hexafluorobenzene)

By formula: I- + C6F6 = (I- bullet C6F6)

QuantityValueUnitsMethodReferenceComment
Deltar46.0 ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
QuantityValueUnitsMethodReferenceComment
Deltar72.4J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
QuantityValueUnitsMethodReferenceComment
Deltar24. ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

(Iodide bullet Hexafluorobenzene) + Hexafluorobenzene = (Iodide bullet 2Hexafluorobenzene)

By formula: (I- bullet C6F6) + C6F6 = (I- bullet 2C6F6)

QuantityValueUnitsMethodReferenceComment
Deltar43.5kJ/molPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
QuantityValueUnitsMethodReferenceComment
Deltar90.4J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M

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.

Ho and Dunbar, 1999
Ho, Y.P.; Dunbar, R.C., Reactions of Au+ and Au- with benzene and fluorine-substituted benzenes, Int. J. Mass Spectrom., 1999, 183, 175-184. [doi:10.1016/S1387-3806(98)14245-8] [all data]

Hiraoka, Mizuse, et al., 1987
Hiraoka, K.; Mizuse, S.; Yamabe, S., High Symmetric Structure of the Gas Phase Ion Cluster X-..C6F6 (X = Cl, Br, I), J. Phys. Chem., 1987, 91, 20, 5294. [doi:10.1021/j100304a032] [all data]

Hiraoka, Mizuse, et al., 1990
Hiraoka, K.; Mizuse, S.; Yamabe, S., Stabilities and Structures of C6F6-(C6F6) and C6F6+(C6F6), J. Phys. Chem., 1990, 94, 9, 3689. [doi:10.1021/j100372a061] [all data]

Nakajima, Taguwa, et al., 1993
Nakajima, A.; Taguwa, T.; Hoshino, K.; Sugioka, T.; Naganuma, T.; Ono, F.; Watanabe, K.; Nakao, K., Photoelectron Spectroscopy of (C6F6)n- and (Au-C6F6)- Clusters, Chem. Phys. Lett., 1993, 214, 1, 22. [doi:10.1016/0009-2614(93)85449-X] [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. [doi:10.1021/ja00485a034] [all data]

Meot-Ner (Mautner) and El-Shall, 1986
Meot-Ner (Mautner), M.; El-Shall, M.S., Ionic Charge Transfer Complexes. 1. Cationic Complexes with Delocalized and Partially Localized pi Systems, J. Am. Chem. Soc., 1986, 108, 15, 4386. [doi:10.1021/ja00275a026] [all data]

Chowdhury and Kebarle, 1986
Chowdhury, S.; Kebarle, P., Role of Binding Energies in A-.B and A.B- Complexes in the Kinetics of Gas Phase Electron Transfer Reactions:A- + B = A + B- Involving Perfluoro Compounds: SF6, C6F11CF3, J. Chem. Phys., 1986, 85, 9, 4989. [doi:10.1063/1.451687] [all data]

Ryzhov, 1999
Ryzhov, V., Binding Energies of Chromium Cations with Fluorobenzenes from Radiative Association Kinetics, Int. J. Mass Spectrom., 1999, 185/186/187, 913. [all data]

Hiraoka, Mizuse, et al., 1987, 2
Hiraoka, K.; Mizuse, S.; Yamabe, S., A Determination of the Stability and Structure of F-(C6H6) and F-(C6F6) Clusters, J. Chem. Phys., 1987, 86, 7, 4102. [doi:10.1063/1.451920] [all data]


Notes

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