Chromium, tricarbonyl[(1,2,3,4,5,6-η)-hexamethylbenzene]-
- Formula: C15H18CrO3
- Molecular weight: 298.2977
- IUPAC Standard InChI: InChI=1S/C12H18.3CO.Cr/c1-7-8(2)10(4)12(6)11(5)9(7)3;3*1-2;/h1-6H3;;;;
- IUPAC Standard InChIKey: QHYWVVUQIBPVLG-UHFFFAOYSA-N
- CAS Registry Number: 12088-11-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Chromium, tricarbonyl(hexamethylbenzene)-; (Hexamethylbenzene)chromium tricarbonyl; Tricarbonyl(hexamethylbenzene)chromium; (η6-Hexamethylbenzene)chromium tricarbonyl
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, 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: José A. Martinho Simões
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -163.7 ± 3.1 | kcal/mol | Review | Martinho Simões | |
| ΔfH°solid | -158.2 ± 2.9 | kcal/mol | Review | Martinho Simões |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References, Notes
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:
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 29.5 ± 1.0 | kcal/mol | HAL-HFC | Adedeji, Brown, et al., 1975 | MS |
| ΔsubH° | 29.40 ± 0.96 | kcal/mol | C | Adedeji, Lalage, et al., 1975 | See also Brown, Connor, et al., 1977.; AC |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 6.4 ± 0.1 | EI | Gilbert, Leach, et al., 1973 | LLK |
| 6.88 | EI | Muller, 1969 | RDSH |
| 7.24 ± 0.05 | CTS | Huttner and Fischer, 1967 | RDSH |
| 7.00 | PE | Connor, Martinho-Simoes, et al., 1979 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C11H12O2Cr+ | 6.5 ± 0.1 | CO | EI | Gilbert, Leach, et al., 1973 | LLK |
| C12H18+ | 8.6 ± 0.1 | ? | EI | Gilbert, Leach, et al., 1973 | LLK |
| C12H18Cr+ | 9.8 ± 0.1 | 3CO | EI | Gilbert, Leach, et al., 1973 | LLK |
| C13H18OCr+ | 7.7 ± 0.1 | 2CO | EI | Gilbert, Leach, et al., 1973 | LLK |
| Cr+ | 13.0 ± 0.1 | ? | EI | Gilbert, Leach, et al., 1973 | LLK |
References
Go To: Top, 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]
Adedeji, Brown, et al., 1975
Adedeji, F.A.; Brown, D.L.S.; Connor, J.A.; Leung, M.; Paz-Andrade, I.M.; Skinner, H.A.,
J. Organometal. Chem., 1975, 97, 221. [all data]
Adedeji, Lalage, et al., 1975
Adedeji, Festus A.; Lalage, D.; Brown, S.; Connor, Joseph A.; Leung, May L.; Paz-Andrade, I. Maria; Skinner, Henry A.,
Thermochemistry of arene chromium tricarbonyls and the strenghts of arene-chromium bonds,
Journal of Organometallic Chemistry, 1975, 97, 2, 221-228, https://doi.org/10.1016/S0022-328X(00)89468-1
. [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]
Gilbert, Leach, et al., 1973
Gilbert, J.R.; Leach, W.P.; Miller, J.R.,
Ionisation appearance potential measurements in arene chromium tricarbonyls,
J. Organomet. Chem., 1973, 49, 219. [all data]
Muller, 1969
Muller, J.,
Ionisierungspotentiale von substituierten Benzolchrom-tricarbonyl-Komplexen,
J. Organometal. Chem., 1969, 18, 321. [all data]
Huttner and Fischer, 1967
Huttner, G.; Fischer, E.O.,
Uber Aromatenkomplexe von Metallen. XCVIII. Spectroskopische Untersuchungen an Charge-Transfer-Komplexen von Aromaten-Chrom Tricarbonylen mit 1,3,5-Trinitrobenzol,
J. Organometal. Chem., 1967, 8, 299. [all data]
Connor, Martinho-Simoes, et al., 1979
Connor, J.A.; Martinho-Simoes, J.A.; Skinner, H.A.; Zafarani-Moattar, M.T.,
Thermochemistry of bis-arene arenetricarbonyl-chromium compounds containing hexamethylbenzene, 1,3,5-tri-methylbenzene and naphthalene,
J. Organomet. Chem., 1979, 179, 331. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.