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 ion energetics data

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

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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 ion energetics data, References

Symbols used in this document:

AE Appearance energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Chromium, tricarbonyl[η6-1,3,5-trimethylbenzene]