Chromium, tricarbonyl[η6-1,3,5-trimethylbenzene]
- Formula: C12H12CrO3
- Molecular weight: 256.2180
- IUPAC Standard InChI: InChI=1S/C9H12.3CO.Cr/c1-7-4-8(2)6-9(3)5-7;3*1-2;/h4-6H,1-3H3;;;;
- IUPAC Standard InChIKey: NIONDGZOEVKXEP-UHFFFAOYSA-N
- CAS Registry Number: 12129-67-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Mesitylene chromium tricarbonyl; Chromium, tricarbonyl[(1,2,3,4,5,6-η)-1,3,5-trimethylbenzene]-; Chromium,tricarbonyl[(1,2,3,4,5,6-η6)-1,3,5-trimethylbenzene]-; tricarbonyl[(1,2,3,4,5,6-η)-1,3,5-trimethylbenzene]chromium
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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 | -111.4 ± 2.3 | kcal/mol | Review | Martinho Simões |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry 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 |
|---|---|---|---|
| 7.29 | CTS | Kobayashi, Kobayashi, et al., 1973 | LLK |
| 6.6 ± 0.1 | EI | Gilbert, Leach, et al., 1973 | LLK |
| 7.05 | EI | Muller, 1969 | RDSH |
| 7.33 ± 0.02 | CTS | Huttner and Fischer, 1967 | RDSH |
| 7.20 | PE | Worley and Webb, 1980 | Vertical value; LLK |
| 7.20 | PE | Connor, Martinho-Simoes, et al., 1979 | Vertical value; LLK |
| 7.20 ± 0.05 | PE | Gower, Kane-Maguire, et al., 1977 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C9H12+ | 8.6 ± 0.1 | ? | EI | Gilbert, Leach, et al., 1973 | LLK |
| C9H12Cr+ | 10.4 ± 0.1 | 3CO | EI | Gilbert, Leach, et al., 1973 | LLK |
| C10H12OCr+ | 8.0 ± 0.1 | 2CO | EI | Gilbert, Leach, et al., 1973 | LLK |
| C11H12O2Cr+ | 6.7 ± 0.1 | CO | EI | Gilbert, Leach, et al., 1973 | LLK |
| Cr+ | 13.9 ± 0.1 | ? | EI | Gilbert, Leach, et al., 1973 | LLK |
References
Go To: Top, Gas phase thermochemistry 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]
Kobayashi, Kobayashi, et al., 1973
Kobayashi, H.; Kobayashi, M.; Kaizu, Y.,
Molecular complexes of arenetricarbonylchromium,
Bull. Chem. Soc. Jpn., 1973, 46, 3109. [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]
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]
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]
Gower, Kane-Maguire, et al., 1977
Gower, M.; Kane-Maguire, L.A.P.; Maier, J.P.; Sweigart, D.A.,
Ultraviolet photoelectron spectra of cyclohepta-1,3,5-triene and mesitylene tricarbonyl complexes of the group 6A metals,
J. Chem. Soc. Dalton Trans., 1977, 316. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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