(η6-Methoxybenzene) chromium tricarbonyl
- Formula: C10H8CrO4
- Molecular weight: 244.1642
- IUPAC Standard InChIKey: UFRCESJPICEFIC-UHFFFAOYSA-N
- CAS Registry Number: 12116-44-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Anisole chromium tricarbonyl; Chromium, tricarbonyl[(1,2,3,4,5,6-η)-methoxybenzene]-; Chromium,tricarbonyl[(1,2,3,4,5,6-η)-methylbenzoate]-; Chromium,tricarbonyl[(1,2,3,4,5,6-μ)-methoxybenzene]-; tricarbonyl[(1,2,3,4,5,6-η)-methoxybenzene]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 | -117. ± 2. | kcal/mol | Review | Martinho Simões | The value given for the enthalpy of formation was recommended in Al-Takhin, Connor, et al., 1984 |
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 |
---|---|---|---|
7.32 | CTS | Kobayashi, Kobayashi, et al., 1973 | LLK |
6.8 ± 0.1 | EI | Gilbert, Leach, et al., 1973 | LLK |
7.11 | EI | Muller, 1969 | RDSH |
7.38 ± 0.05 | CTS | Huttner and Fischer, 1967 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C7H8OCr+ | 9.9 ± 0.1 | 3CO | EI | Gilbert, Leach, et al., 1973 | LLK |
C7H8O+ | 8.5 ± 0.1 | ? | EI | Gilbert, Leach, et al., 1973 | LLK |
C8H8O2Cr+ | 7.9 ± 0.1 | 2CO | EI | Gilbert, Leach, et al., 1973 | LLK |
C9H8O3Cr+ | 7.0 ± 0.1 | CO | EI | Gilbert, Leach, et al., 1973 | LLK |
Cr+ | 12.7 ± 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]
Al-Takhin, Connor, et al., 1984
Al-Takhin, G.; Connor, J.A.; Skinner, H.A.; Zaharani-Moettar, M.T.,
J. Organomet. Chem., 1984, 260, 189. [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]
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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