Benzene, hexafluoro- anion


Gas phase thermochemistry 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: John E. Bartmess

Quantity Value Units Method Reference Comment
Δfgas-238.3 ± 2.3kcal/molR-EAMiller, Van Doren, et al., 2004 

Reaction thermochemistry 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

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Individual Reactions

C6F6- + Benzene, hexafluoro- = (C6F6- • Benzene, hexafluoro-)

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

Quantity Value Units Method Reference Comment
Δr9.4 ± 4.6kcal/molN/ANakajima, Taguwa, et al., 1993gas phase; Vertical Detachment Energy: 1.760±0.040 eV; B
Δr10.4 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1990gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.5cal/mol*KPHPMSHiraoka, Mizuse, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
Δr2.5 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1990gas phase; B

C6F6- + Water = C6H2F6O-

By formula: C6F6- + H2O = C6H2F6O-

Quantity Value Units Method Reference Comment
Δr5.30kcal/molN/AEustis, Wang, et al., 2007gas phase; Vertical Detachment Energy: 1.78±0.02 eV. EA is not adiabatic, just threshhold; B

References

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

Miller, Van Doren, et al., 2004
Miller, T.M.; Van Doren, J.M.; Viggiano, A.A., Electron attachment and detachment: C6F6, Int. J. Mass Spectrom., 2004, 233, 1-3, 67-73, https://doi.org/10.1016/j.ijms.2003.11.014 . [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, https://doi.org/10.1016/0009-2614(93)85449-X . [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, https://doi.org/10.1021/j100372a061 . [all data]

Eustis, Wang, et al., 2007
Eustis, S.N.; Wang, D.; Bowen, K.H.; Patwari, G.N., Photoelectron spectroscopy of hydrated hexafluorobenzene anions, J. Chem. Phys., 2007, 127, 11, 114312, https://doi.org/10.1063/1.2768349 . [all data]


Notes

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