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
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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:
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, 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.
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
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- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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