Ferrocene, 1,1',2,2',3,3',4,4'-octachloro-
- Formula: C10H2Cl8Fe
- Molecular weight: 461.592
- IUPAC Standard InChI: InChI=1S/2C5HCl4.Fe/c2*6-2-1-3(7)5(9)4(2)8;/h2*1H;
- IUPAC Standard InChIKey: TYSVYDBHDBEZAE-UHFFFAOYSA-N
- CAS Registry Number: 33306-56-8
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias and Joel F. Liebman
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 7.58 ± 0.07 | PI | Barfuss, Emrich, et al., 1990 |
| 7.7 ± 0.1 | EI | Barfuss, Emrich, et al., 1990 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C5HCl+ | 20.1 ± 0.3 | ? | EI | Barfuss, Emrich, et al., 1990 | |
| C5HCl2+ | 15.7 ± 0.2 | ? | EI | Barfuss, Emrich, et al., 1990 | |
| C5HCl2+ | 16.8 ± 0.3 | ? | EI | Barfuss, Emrich, et al., 1990 | |
| C5HCl4+ | 14.5 ± 0.3 | ? | EI | Barfuss, Emrich, et al., 1990 | |
| C5HCl4+ | 14.0 ± 0.1 | ? | PI | Barfuss, Emrich, et al., 1990 | |
| C5HCl4Fe+ | 14.3 ± 0.2 | ? | EI | Barfuss, Emrich, et al., 1990 | |
| C5HCl4Fe+ | 13.2 ± 0.1 | ? | PI | Barfuss, Emrich, et al., 1990 | |
| C10H2Cl4+ | 14.8 ± 0.3 | ? | EI | Barfuss, Emrich, et al., 1990 | |
| C10H2Cl5+ | 14.1 ± 0.3 | ? | EI | Barfuss, Emrich, et al., 1990 | |
| C10H2Cl5+ | 13.3 ± 0.2 | ? | PI | Barfuss, Emrich, et al., 1990 | |
| C10H2Cl6+ | 11.4 ± 0.1 | ? | PI | Barfuss, Emrich, et al., 1990 | |
| C10H2Cl6+ | 12.1 ± 0.2 | ? | EI | Barfuss, Emrich, et al., 1990 |
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]
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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