Iron, tricarbonyliodo(η3-2-propenyl)-
- Formula: C6H5FeIO3
- Molecular weight: 307.852
- CAS Registry Number: 12189-10-5
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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 | -80.5 ± 2.4 | kcal/mol | Review | Martinho Simões | |
| ΔfH°gas | -82.1 ± 2.6 | kcal/mol | HAL-HFC | Connor, Demain, et al., 1979 | Value corrected based on a set of ancillary data by J.A. Martinho Simões; Selected data. The enthalpy of formation is a recommended Connor, Demain, et al., 1979 weighed average from thermal decomposition and iodination results |
Condensed 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°solid | -100.7 ± 2.2 | kcal/mol | Review | Martinho Simões | |
| ΔfH°solid | -102.3 ± 2.4 | kcal/mol | HAL-HFC | Connor, Demain, et al., 1979 | Value corrected based on a set of ancillary data by J.A. Martinho Simões; Selected data. The enthalpy of formation is a recommended Connor, Demain, et al., 1979 weighed average from thermal decomposition and iodination results |
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° | 20.2 ± 0.96 | kcal/mol | N/A | Pilcher and Skinner, 1983 | See also Connor, Demain, et al., 1979, 2.; AC |
| ΔsubH° | 20.2 ± 0.96 | kcal/mol | TD-HFC | Connor, Demain, et al., 1979 | 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:
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 |
|---|---|---|---|
| 8.2 | PE | Louwen, Hart, et al., 1982 | LBLHLM |
| 8.36 | PE | Louwen, Hart, et al., 1982 | Vertical value; LBLHLM |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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.
Martinho Simões
Martinho Simões, J.A.,
Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]
Connor, Demain, et al., 1979
Connor, J.A.; Demain, C.P.; Skinner, H.A.; Zafarani-Moattar, M.T.,
J. Orgnometal. Chem., 1979, 170, 117. [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, 2
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]
Louwen, Hart, et al., 1982
Louwen, J.N.; Hart, J.; Stufkens, D.J.; Oskam, A.,
The HeI and HeII photoelectron spectra of [Fe η3-C3H5(CO)3X] and [Fe η3-C4H7(CO)3X] (X = Cl, Br, I) and [CoC3H5(CO)3],
Z. Naturforsch. B:, 1982, 37, 179. [all data]
Notes
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- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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