Benzene, hexafluoro- anion
- Formula: C6F6-
- Molecular weight: 186.0552
- CAS Registry Number: 37551-90-9
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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 |
---|---|---|---|---|---|
ΔfH°gas | -238.3 ± 2.3 | kcal/mol | R-EA | Miller, Van Doren, et al., 2004 |
Reaction thermochemistry data
Go To: Top, Gas phase 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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Individual Reactions
By formula: C6F6- + C6F6 = (C6F6- • C6F6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.4 ± 4.6 | kcal/mol | N/A | Nakajima, Taguwa, et al., 1993 | gas phase; Vertical Detachment Energy: 1.760±0.040 eV; B |
ΔrH° | 10.4 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1990 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1990 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.5 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1990 | gas phase; B |
C6F6- + = C6H2F6O-
By formula: C6F6- + H2O = C6H2F6O-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.30 | kcal/mol | N/A | Eustis, Wang, et al., 2007 | gas phase; Vertical Detachment Energy: 1.78±0.02 eV. EA is not adiabatic, just threshhold; B |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Notes
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
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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