Iron, tricarbonyl[(1,2,3,4-η4)-1,3,5,7-cyclooctatetraene]-
- Formula: C11H8FeO3
- Molecular weight: 244.024
- IUPAC Standard InChI: InChI=1S/C8H8.3CO.Fe/c1-2-4-6-8-7-5-3-1;3*1-2;/h1-8H;;;;
- IUPAC Standard InChIKey: XAOCYVWRKJTXOL-UHFFFAOYSA-N
- CAS Registry Number: 12093-05-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Cyclooctatetraeneiron tricarbonyl; Iron, tricarbonyl[(1,2,3,4-η)-1,3,5,7-cyclooctatetraene]-; Iron, tricarbonyl(1,3,5,7-cyclooctatetraene)-; Cyclooctatetraenetricarbonyliron; Tricarbonyl (1,3,5,7-cyclooctatetraene)iron; Tricarbonyl(cyclooctatetraene)iron
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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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.80 ± 0.10 | EI | Opitz, Bruch, et al., 1994 | LL |
| 7.3 | PE | Bohm and Gleiter, 1980 | LLK |
| 7.80 | PE | Bohm and Gleiter, 1980 | Vertical value; LLK |
| 7.84 | PE | Green, Powell, et al., 1976 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H6Fe+ | 11.54 ± 0.15 | 3CO+C2H2 | EI | Opitz, Bruch, et al., 1994 | LL |
| C8H8Fe+ | 9.90 ± 0.20 | 3CO | EI | Opitz, Bruch, et al., 1994 | LL |
| C9H8FeO+ | 8.53 ± 0.15 | 2CO | EI | Opitz, Bruch, et al., 1994 | LL |
| C10H8FeO2+ | 7.59 ± 0.20 | CO | EI | Opitz, Bruch, et al., 1994 | LL |
| Fe+ | 13.55 ± 0.15 | 3CO+C8H8 | EI | Opitz, Bruch, et al., 1994 | LL |
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.
Opitz, Bruch, et al., 1994
Opitz, J.; Bruch, D.; VonBunau, G.,
Multiphoton excitation of tricarbonyl-cyclooctatetraene-iron. Wavelength-dependent competition between ionization and dissociation,
Int. J. Mass Spectrom. Ion Processes, 1994, 135, 181. [all data]
Bohm and Gleiter, 1980
Bohm, M.C.; Gleiter, R.,
The electronic structure and the He(I) photoelectron spectrum of tricarbonylcyclooctatetraene-iron,
Z. Naturforsch. B:, 1980, 35, 1028. [all data]
Green, Powell, et al., 1976
Green, J.C.; Powell, P.; Van Tilborg, J.,
He(I) photoelectron spectra of tricarbonyl-iron and -ruthenium complexes of cyclic dienes, and of tricarbonylcycloheptatriene- and tricarbonylcyclooctatetraene-iron,
J. Chem. Soc. Dalton Trans., 1976, 1974. [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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