1,4-Benzenedicarbonitrile, 2,3,5,6-tetrafluoro-
- Formula: C8F4N2
- Molecular weight: 200.0926
- IUPAC Standard InChI: InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11
- IUPAC Standard InChIKey: PCRSJGWFEMHHEW-UHFFFAOYSA-N
- CAS Registry Number: 1835-49-0
- 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: Diamond 2031; 1,4-Dicyanotetrafluorobenzene; Terephthalonitrile, tetrafluoro-; Tetrafluoroterephthalonitrile; 2,3,5,6-Tetrafluoroterephthalonitrile; 2,3,5,6-Tetrafluoro-1,4-benzenedicarbonitrile; 1,4-Dicyano-2,3,5,6-tetrafluorobenzene
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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
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.89 ± 0.10 | IMRE | Chowdury, Grimsrud, et al., 1986 | ΔGea(423 K) = -43.5 kcal/mol; ΔSea (estimated) = +0.3 eu.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.65 | PE | Neijzen and DeLange, 1978 | Vertical value; 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.
Chowdury, Grimsrud, et al., 1986
Chowdury, S.; Grimsrud, E.P.; Heinis, T.; Kebarle, P.,
Electron affinities of perfluorobenzene and perfluorophenyl compounds,
J. Am. Chem. Soc., 1986, 108, 3630. [all data]
Neijzen and DeLange, 1978
Neijzen, B.J.M.; DeLange, C.A.,
Photoelectron spectroscopy of mono-dicyanobenzenes their perfluoro derivatives,
J. Electron Spectrosc. Relat. Phenom., 1978, 14, 187. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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