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(«eta»6-Methylbenzoate) chromium tricarbonyl


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-148.2 ± 2.2kcal/molReviewMartinho Simões 
Deltafgas-157.4 ± 2.3kcal/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-175.3 ± 1.9kcal/molReviewMartinho Simões 
Deltafsolid-184.5 ± 2.0kcal/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 as indicated in comments:
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Deltasub27.1 ± 1.2kcal/molTD-HFCAl-Takhin, Connor, et al., 1984MS
Deltasub22.2 ± 0.48kcal/molCAl-Takhin, Connor, et al., 1984, 2AC
Deltasub27.2 ± 1.2kcal/molCAl-Takhin, Connor, et al., 1984, 2AC
Deltasub22.6 ± 1.0kcal/molN/APilcher and Skinner, 1983See also Adedeji, Lalage, et al., 1975.; AC

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
7.1EISimonneaux, Jaouen, et al., 1977LLK
7.0 ± 0.1EIGilbert, Leach, et al., 1973LLK
7.41EIMuller, 1969RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C8H8O2Cr+9.13COEISimonneaux, Jaouen, et al., 1977LLK
C8H8O2Cr+10.0 ± 0.13COEIGilbert, Leach, et al., 1973LLK
C8H8O2+9.3 ± 0.1?EIGilbert, Leach, et al., 1973LLK
C9H8O3Cr+7.72COEISimonneaux, Jaouen, et al., 1977LLK
C9H8O3Cr+8.3 ± 0.12COEIGilbert, Leach, et al., 1973LLK
Cr+14.0 ± 0.1?EIGilbert, Leach, et al., 1973LLK

References

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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]

Al-Takhin, Connor, et al., 1984, 2
Al-Takhin, Ghassan; Connor, Joseph A.; Skinner, Henry A.; Zafarani-Moattar, Mohamed T., Thermochemistry of arenetricarbonylchromium complexes containing toluene, anisole, N,N-dimethylaninine, acetophenone and methylbenzoate, Journal of Organometallic Chemistry, 1984, 260, 2, 189-197, https://doi.org/10.1016/S0022-328X(00)98694-7 . [all data]

Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A., Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2 . [all data]

Adedeji, Lalage, et al., 1975
Adedeji, Festus A.; Lalage, D.; Brown, S.; Connor, Joseph A.; Leung, May L.; Paz-Andrade, I. Maria; Skinner, Henry A., Thermochemistry of arene chromium tricarbonyls and the strenghts of arene-chromium bonds, Journal of Organometallic Chemistry, 1975, 97, 2, 221-228, https://doi.org/10.1016/S0022-328X(00)89468-1 . [all data]

Simonneaux, Jaouen, et al., 1977
Simonneaux, G.; Jaouen, G.; Dabard, R.; Guenot, P., Contribution a l'etude des metaux asymetriques IV. Etude des complexes areniques du chrome(o) par spectroscopie de masse: modes de liaison du metal avec divers ligands a deux electrons: phosphines, phosphites, carbonyle et thiocarbonyle, J. Organomet. Chem., 1977, 132, 231. [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]


Notes

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