Ferrocene, 1,1',2,2',3,3'-hexachloro-
- Formula: C10H4Cl6Fe
- Molecular weight: 392.702
- IUPAC Standard InChI: InChI=1S/2C5H2Cl3.Fe/c2*6-3-1-2-4(7)5(3)8;/h2*1-2H;
- IUPAC Standard InChIKey: ZZCMVFJCIHYRCS-UHFFFAOYSA-N
- CAS Registry Number: 33306-55-7
- 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: Ferrocene, hexachloro-
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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 |
|---|---|---|
| 7.38 ± 0.05 | PI | Barfuss, Emrich, et al., 1990 |
| 7.5 ± 0.1 | EI | Barfuss, Emrich, et al., 1990 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C5H2+ | 21.0 ± 0.3 | ? | EI | Barfuss, Emrich, et al., 1990 | |
| C5H2Cl+ | 16.1 ± 0.1 | ? | PI | Barfuss, Emrich, et al., 1990 | |
| C5H2Cl+ | 17.1 ± 0.3 | ? | EI | Barfuss, Emrich, et al., 1990 | |
| C5H2Cl3+ | 14.4 ± 0.1 | ? | PI | Barfuss, Emrich, et al., 1990 | |
| C5H2Cl3+ | 15.3 ± 0.3 | ? | EI | Barfuss, Emrich, et al., 1990 | |
| C5H2Cl3Fe+ | 14.9 ± 0.3 | ? | EI | Barfuss, Emrich, et al., 1990 | |
| C5H2Cl3Fe+ | 13.9 ± 0.1 | ? | PI | Barfuss, Emrich, et al., 1990 | |
| C10H4Cl2+ | 13.2 ± 0.1 | ? | PI | Barfuss, Emrich, et al., 1990 | |
| C10H4Cl2+ | 15.6 ± 0.3 | ? | EI | Barfuss, Emrich, et al., 1990 | |
| C10H4Cl3+ | 12.6 ± 0.1 | ? | PI | Barfuss, Emrich, et al., 1990 | |
| C10H4Cl3+ | 13.8 ± 0.2 | ? | EI | Barfuss, Emrich, et al., 1990 | |
| C10H4Cl4+ | 11.1 ± 0.3 | ? | PI | Barfuss, Emrich, et al., 1990 | |
| C10H4Cl4+ | 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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