Ferrocene, 1,1',2,2'-tetrachloro-
- Formula: C10H6Cl4Fe
- Molecular weight: 323.812
- IUPAC Standard InChI: InChI=1S/2C5H3Cl2.Fe/c2*6-4-2-1-3-5(4)7;/h2*1-3H;
- IUPAC Standard InChIKey: XRQNIPRBZOHNOH-UHFFFAOYSA-N
- CAS Registry Number: 33306-54-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Ferrocene, tetrachloro-
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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:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.25 ± 0.05 | PI | Barfuss, Emrich, et al., 1990 | LL |
| 7.3 ± 0.3 | EI | Barfuss, Emrich, et al., 1990 | LL |
| 7.3 ± 0.2 | EI | Barfuss, Grade, et al., 1987 | LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C5H3+ | 17.5 ± 0.2 | ? | EI | Barfuss, Emrich, et al., 1990 | LL |
| C5H3+ | 16.4 ± 0.2 | ? | PI | Barfuss, Emrich, et al., 1990 | LL |
| C5H3Cl2+ | 14.4 ± 0.2 | ? | PI | Barfuss, Emrich, et al., 1990 | LL |
| C5H3Cl2Fe+ | 15.2 ± 0.3 | ? | EI | Barfuss, Emrich, et al., 1990 | LL |
| C5H3Cl2Fe+ | 14.5 ± 0.1 | ? | PI | Barfuss, Emrich, et al., 1990 | LL |
| C10H6+ | 14.6 ± 0.1 | ? | PI | Barfuss, Emrich, et al., 1990 | LL |
| C10H6Cl+ | 14.2 ± 0.2 | ? | EI | Barfuss, Emrich, et al., 1990 | LL |
| C10H6Cl+ | 13.3 ± 0.1 | ? | PI | Barfuss, Emrich, et al., 1990 | LL |
| C10H6Cl+ | 13.6 ± 0.5 | ? | EI | Barfuss, Grade, et al., 1987 | LBLHLM |
| C10H6Cl2+ | 11.0 ± 0.3 | ? | PI | Barfuss, Emrich, et al., 1990 | LL |
| C10H6Cl2+ | 11.8 ± 0.2 | ? | EI | Barfuss, Emrich, et al., 1990 | LL |
| C10H6Cl2+ | 11.8 ± 0.3 | Cl2+Fe | EI | Barfuss, Grade, et al., 1987 | LBLHLM |
| C10H6Cl3Fe+ | 8.7 ± 0.3 | Cl | EI | Barfuss, Grade, et al., 1987 | LBLHLM |
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.
Barfuss, Emrich, et al., 1990
Barfuss, S.; Emrich, R.-H.; Hirschwald, W.; Dowben, P.A.; Boag, N.M.,
A mass spectrometric investigation of chloro-, bromo- and methyl-ferrocenes by electron and photon impact ionisation,
J. Org. Chem., 1990, 391, 209. [all data]
Barfuss, Grade, et al., 1987
Barfuss, S.; Grade, M.; Hirschwald, W.; Rosinger, W.,
The stability and decomposition of gaseous chloroferrocenes,
J. Vac. Sci. Technol. A:, 1987, 5, 1451. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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