Benzene, pentafluoroiodo-
- Formula: C6F5I
- Molecular weight: 293.9607
- IUPAC Standard InChI: InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9
- IUPAC Standard InChIKey: OPYHNLNYCRZOGY-UHFFFAOYSA-N
- CAS Registry Number: 827-15-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Iodopentafluorobenzene; Pentafluoroiodobenzene; Pentafluorophenyl iodide; Iodoperfluorobenzene; 2,3,4,5,6-Pentafluoroiodobenzene; Perfluoroiodobenzene; 1,2,3,4,5-Pentafluoro-6-iodo-benzene
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Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.41 ± 0.11 | IMRE | Dillow and Kebarle, 1989 | ΔGea(423 K) = -35.0±1.0 kcal/mol , assumed entropy = 3.5 eu; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.54 | PE | Trudell and Price, 1979 | LLK |
| 9.5 ± 0.1 | EI | Majer and Patrick, 1962 | RDSH |
| 9.54 | PE | Trudell and Price, 1979 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6F5+ | 13.21 ± 0.05 | I | EI | Price and Sapiano, 1974 | LLK |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dillow and Kebarle, 1989
Dillow, G.W.; Kebarle, P.,
Substituent Effects on the Electron Affinities of Perfluorobenzenes C6F5X,
J. Am. Chem. Soc., 1989, 111, 15, 5592, https://doi.org/10.1021/ja00197a014
. [all data]
Trudell and Price, 1979
Trudell, B.C.; Price, S.J.W.,
The ultraviolet photoelectron spectra of C6F5X compounds, X=(F, Cl, Br, I, H, CH3),
Can. J. Chem., 1979, 57, 2256. [all data]
Majer and Patrick, 1962
Majer, J.R.; Patrick, C.R.,
Electron impact on some halogenated aromatic compounds,
J. Chem. Soc. Faraday Trans., 1962, 58, 17. [all data]
Price and Sapiano, 1974
Price, S.J.W.; Sapiano, H.J.,
C6F5X bond dissociation energies: determination from appearance potential measurements and correlation with thermochemical data,
Can. J. Chem., 1974, 52, 4109. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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