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(Methylbenzene)tricarbonylchromium


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
Deltafgas-382.7 ± 4.7kJ/molReviewMartinho Simões 
Deltafgas-379.2 ± 4.6kJ/molReviewMartinho Simões 
Deltafgas-339.1 ± 6.3kJ/molReviewMartinho Simões 

Condensed 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
Deltafsolid-475.7 ± 4.3kJ/molReviewMartinho Simões 
Deltafsolid-472.2 ± 4.1kJ/molReviewMartinho Simões 
Deltafsolid-432.1 ± 6.0kJ/molReviewMartinho Simões 

Phase change 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
Deltasub93.0 ± 2.0kJ/molHAL-HFCAl-Takhin, Connor, et al., 1984Another value for the enthalpy of sublimation has been reported: 94.6 ± 4.2 kJ/mol Adedeji, Brown, et al., 1975

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
6.6 ± 0.2EIDavis, Ojo, et al., 1978LLK
7.29CTSKobayashi, Kobayashi, et al., 1973LLK
6.7 ± 0.1EIGilbert, Leach, et al., 1973LLK
7.19EIMuller, 1969RDSH
7.39 ± 0.05CTSHuttner and Fischer, 1967RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H8+8.3 ± 0.1?EIGilbert, Leach, et al., 1973LLK
C7H8Cr+10.1 ± 0.23COEIDavis, Ojo, et al., 1978LLK
C7H8Cr+10.0 ± 0.13COEIGilbert, Leach, et al., 1973LLK
C8H8OCr+8.1 ± 0.12COEIGilbert, Leach, et al., 1973LLK
C9H8O2Cr+7.1 ± 0.1COEIGilbert, Leach, et al., 1973LLK
Cr+13.5 ± 0.2C6H5CH3+3CEIDavis, Ojo, et al., 1978LLK
Cr+13.4 ± 0.1C6H5CH3+3CEIGilbert, Leach, et al., 1973LLK

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-IW-1111
NIST MS number 238114

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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]

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]

Davis, Ojo, et al., 1978
Davis, R.; Ojo, I.A.; Webb, M.L., Mass spectrometry of transition-metal «pi»-complexes, V.-Fragmentation and structure of chromium-coordinated [C7H8]+ and [C8H10]+ ions, Org. Mass Spectrom., 1978, 13, 547. [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

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