Chromium,[(2,3,5,6-η)-bicyclo[2.2.1]hepta-2,5-diene]tetracarbonyl-
- Formula: C11H8CrO4
- Molecular weight: 256.1749
- IUPAC Standard InChI: InChI=1S/C7H8.4CO.Cr/c1-2-7-4-3-6(1)5-7;4*1-2;/h1-4,6-7H,5H2;;;;;
- IUPAC Standard InChIKey: AHJNXOJJUVDRBD-UHFFFAOYSA-N
- CAS Registry Number: 12146-36-0
- Chemical structure:
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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 | -73.4 ± 2.4 | kcal/mol | Review | Martinho Simões |
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 | -94.6 ± 2.2 | kcal/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° | 21.3 ± 0.96 | kcal/mol | N/A | Pilcher and Skinner, 1983 | See also Brown, Connor, et al., 1977.; AC |
| ΔsubH° | 21.3 ± 0.96 | kcal/mol | HAL-HFC | Brown, Connor, et al., 1977, 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.28 | PE | Worley and Webb, 1980 | Vertical value |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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| Source | Platbrood and Wilpatte-Steinert, 1974 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 17110 |
| Instrument | Unicam SP 800 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, UV/Visible spectrum, 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]
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]
Brown, Connor, et al., 1977
Brown, D.L.S.; Connor, Joseph A.; Demain, Christopher P.; Leung, May L.; Martinho-Simoes, Jose A.; Skinner, Henry A.; Zafarani Moattar, Mohamed T.,
The thermochemistry of carbonyl complexes of Cr, Mo, Wand Co with arenes, cycloheptatriene, and norbornadiene,
Journal of Organometallic Chemistry, 1977, 142, 3, 321-335, https://doi.org/10.1016/S0022-328X(00)88348-5
. [all data]
Brown, Connor, et al., 1977, 2
Brown, D.L.S.; Connor, J.A.; Demain, C.P.; Leung, M.L.; Martinho Simões, J.A.; Skinner, H.A.; Zafarani- Moattar, M.T.,
J. Organometal. Chem., 1977, 142, 321. [all data]
Worley and Webb, 1980
Worley, S.D.; Webb, T.R.,
The electronic structure of transition-metal carbonyl complexes of norbornadiene and mesitylene,
J. Organomet. Chem., 1980, 192, 139. [all data]
Platbrood and Wilpatte-Steinert, 1974
Platbrood, G.; Wilpatte-Steinert, L.,
J. Organometallic Chem., 1974, 70, 393. [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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