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Benzene, fluoro-

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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 - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

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

Bromine anion + Benzene, fluoro- = (Bromine anion bullet Benzene, fluoro-)

By formula: Br- + C6H5F = (Br- bullet C6H5F)

Quantity Value Units Method Reference Comment
Deltar10.6 ± 1.6kcal/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar2.1 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
2.1423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

C6H5F+ + Benzene, fluoro- = (C6H5F+ bullet Benzene, fluoro-)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar7.1kcal/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
Deltar14.1kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar27.cal/mol*KN/AMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.3356.PHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; Entropy change calculated or estimated; M

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; M
Deltar17.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar30.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C6H7N+ + Benzene, fluoro- = (C6H7N+ bullet Benzene, fluoro-)

By formula: C6H7N+ + C6H5F = (C6H7N+ bullet C6H5F)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar11.7kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.5cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

C7H8+ + Benzene, fluoro- = (C7H8+ bullet Benzene, fluoro-)

By formula: C7H8+ + C6H5F = (C7H8+ bullet C6H5F)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar3.9kcal/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M

Chlorine anion + Benzene, fluoro- = (Chlorine anion bullet Benzene, fluoro-)

By formula: Cl- + C6H5F = (Cl- bullet C6H5F)

Quantity Value Units Method Reference Comment
Deltar5.90kcal/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.9300.PHPMSFrench, Ikuta, et al., 1982gas phase; M

Chromium ion (1+) + Benzene, fluoro- = (Chromium ion (1+) bullet Benzene, fluoro-)

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

Quantity Value Units Method Reference Comment
Deltar39.2kcal/molRAKRyzhov, 1999RCD

Cesium ion (1+) + Benzene, fluoro- = (Cesium ion (1+) bullet Benzene, fluoro-)

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

Quantity Value Units Method Reference Comment
Deltar12.0 ± 1.2kcal/molCIDTAmunugama and Rodgers, 2002RCD

(Cesium ion (1+) bullet Benzene, fluoro-) + Benzene, fluoro- = (Cesium ion (1+) bullet 2Benzene, fluoro-)

By formula: (Cs+ bullet C6H5F) + C6H5F = (Cs+ bullet 2C6H5F)

Quantity Value Units Method Reference Comment
Deltar10.7 ± 1.1kcal/molCIDTAmunugama and Rodgers, 2002RCD

NH4+ + Benzene, fluoro- = (NH4+ bullet Benzene, fluoro-)

By formula: H4N+ + C6H5F = (H4N+ bullet C6H5F)

Quantity Value Units Method Reference Comment
Deltar14.4kcal/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.0cal/mol*KPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M

Potassium ion (1+) + Benzene, fluoro- = (Potassium ion (1+) bullet Benzene, fluoro-)

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

Quantity Value Units Method Reference Comment
Deltar13.2 ± 0.7kcal/molCIDTAmunugama and Rodgers, 2002RCD

(Potassium ion (1+) bullet Benzene, fluoro-) + Benzene, fluoro- = (Potassium ion (1+) bullet 2Benzene, fluoro-)

By formula: (K+ bullet C6H5F) + C6H5F = (K+ bullet 2C6H5F)

Quantity Value Units Method Reference Comment
Deltar12.0 ± 0.7kcal/molCIDTAmunugama and Rodgers, 2002RCD

Lithium ion (1+) + Benzene, fluoro- = (Lithium ion (1+) bullet Benzene, fluoro-)

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

Quantity Value Units Method Reference Comment
Deltar35.1 ± 5.0kcal/molCIDTAmunugama and Rodgers, 2002RCD

(Lithium ion (1+) bullet Benzene, fluoro-) + Benzene, fluoro- = (Lithium ion (1+) bullet 2Benzene, fluoro-)

By formula: (Li+ bullet C6H5F) + C6H5F = (Li+ bullet 2C6H5F)

Quantity Value Units Method Reference Comment
Deltar22.7 ± 0.7kcal/molCIDTAmunugama and Rodgers, 2002RCD

Nitric oxide anion + Benzene, fluoro- = (Nitric oxide anion bullet Benzene, fluoro-)

By formula: NO- + C6H5F = (NO- bullet C6H5F)

Quantity Value Units Method Reference Comment
Deltar37.8kcal/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

Sodium ion (1+) + Benzene, fluoro- = (Sodium ion (1+) bullet Benzene, fluoro-)

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

Quantity Value Units Method Reference Comment
Deltar16.7 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2002RCD

(Sodium ion (1+) bullet Benzene, fluoro-) + Benzene, fluoro- = (Sodium ion (1+) bullet 2Benzene, fluoro-)

By formula: (Na+ bullet C6H5F) + C6H5F = (Na+ bullet 2C6H5F)

Quantity Value Units Method Reference Comment
Deltar15.7 ± 0.9kcal/molCIDTAmunugama and Rodgers, 2002RCD

Rubidium ion (1+) + Benzene, fluoro- = (Rubidium ion (1+) bullet Benzene, fluoro-)

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

Quantity Value Units Method Reference Comment
Deltar12.8 ± 1.3kcal/molCIDTAmunugama and Rodgers, 2002RCD

(Rubidium ion (1+) bullet Benzene, fluoro-) + Benzene, fluoro- = (Rubidium ion (1+) bullet 2Benzene, fluoro-)

By formula: (Rb+ bullet C6H5F) + C6H5F = (Rb+ bullet 2C6H5F)

Quantity Value Units Method Reference Comment
Deltar11.3 ± 1.2kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: V- + C6H5F = (V- bullet C6H5F)

Quantity Value Units Method Reference Comment
Deltar14.4 ± 3.8kcal/molN/AJudai, Hirano, et al., 1997gas phase; B

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.

Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P., Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-, J. Am. Chem. Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014 . [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]

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]

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, https://doi.org/10.1021/ja00275a026 . [all data]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [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]

Amunugama and Rodgers, 2002
Amunugama, R.; Rodgers, M.T., Influence of substituents on cation-pi interactions. 2. Absolute binding energies of alkali metal cation-fluorobenzene complexes determined by threshold collision-induced dissociation and theoretical studies, J. Phys. Chem. A, 2002, 106, 39, 9092, https://doi.org/10.1021/jp020459a . [all data]

Deakyne and Meot-Ner (Mautner), 1985
Deakyne, C.A.; Meot-Ner (Mautner), M., Unconventional Ionic Hydrogen Bonds. 2. NH+ pi. Complexes of Onium Ions with Olefins and Benzene Derivatives, J. Am. Chem. Soc., 1985, 107, 2, 474, https://doi.org/10.1021/ja00288a034 . [all data]

Reents and Freiser, 1981
Reents, W.D.; Freiser, B.S., Gas-Phase Binding Energies and Spectroscopic Properties of NO+ Charge-Transfer Complexes, J. Am. Chem. Soc., 1981, 103, 2791. [all data]

Farid and McMahon, 1978
Farid, R.; McMahon, T.B., Gas-Phase Ion-Molecule Reactions of Alkyl Nitrites by Ion Cyclotron Resonance Spectroscopy, Int. J. Mass Spectrom. Ion Phys., 1978, 27, 2, 163, https://doi.org/10.1016/0020-7381(78)80037-0 . [all data]

Judai, Hirano, et al., 1997
Judai, K.; Hirano, M.; Kawamata, H.; Yabushita, S.; Nakajima, A.; Kaya, K., Formation of Vanadium-Arene Complex Anions and Their Photoelectron Spectroscopy, Chem. Phys. Lett., 1997, 270, 1-2, 23, https://doi.org/10.1016/S0009-2614(97)00336-9 . [all data]


Notes

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