Iron, tricarbonyl[(1,2,3,4-η4)-1,3,5,7-cyclooctatetraene]-
- Formula: C11H8FeO3
- Molecular weight: 244.024
- 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 thermochemistry 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 by: José A. Martinho Simões
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -152. ± 12. | kJ/mol | Review | Martinho Simões |
Phase change 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:
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 87.0 ± 4.0 | kJ/mol | N/A | Pilcher and Skinner, 1983 | See also Connor, Demain, et al., 1979.; AC |
ΔsubH° | 87.0 ± 4.0 | kJ/mol | TD-HFC | Connor, Demain, et al., 1979, 2 | MS |
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
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Martinho Simões
Martinho Simões, J.A.,
Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]
Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A.,
Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2
. [all data]
Connor, Demain, et al., 1979
Connor, Joseph A.; Demain, Christopher P.; Skinner, Henry A.; Zafarani-Moattar, Mohammad T.,
Thermochemistry of η3-Allyltricarbonyliodoiron, Tricarbonyl (η4-cyclooctatetraene)iron and Tetracarbonyldiiodoiron. The Enthalpy Contributions of Allyliron and Cyclooctatetraene-iron Bonds,
Journal of Organometallic Chemistry, 1979, 170, 1, 117-130, https://doi.org/10.1016/S0022-328X(00)83195-2
. [all data]
Connor, Demain, et al., 1979, 2
Connor, J.A.; Demain, C.P.; Skinner, H.A.; Zafarani-Moattar, M.T.,
J. Orgnometal. Chem., 1979, 170, 117. [all data]
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
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- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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