Bis(η6-1,3,5-trimethylbenzene) chromium


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
Δfgas14.0 ± 6.0kcal/molReviewMartinho Simões 
Δfgas15.2 ± 1.6kcal/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
Δfsolid-10.9 ± 6.0kcal/molReviewMartinho Simões 
Δfsolid-9.7 ± 1.6kcal/molReviewMartinho Simões 
Quantity Value Units Method Reference Comment
Δcsolid-2638.1 ± 6.0kcal/molCC-SBFischer, Schreiner, et al., 1961Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970.

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
Δsub24.86 ± 0.24kcal/molCC-SBConnor, Martinho-Simoes, et al., 1979MS
Δsub24.9 ± 0.2kcal/molCConnor, Martinho-Simoes, et al., 1979, 2AC

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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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
5.47 ± 0.05EIHerberich and Muller, 1969RDSH
4.97PECabelli, Cowley, et al., 1982Vertical value; LBLHLM
5.01 ± 0.05PEEvans, Green, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C9H12Cr+9.3 ± 0.1?EIHerberich and Muller, 1969RDSH
Cr+12.1 ± 0.2?EIHerberich and Muller, 1969RDSH

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]

Fischer, Schreiner, et al., 1961
Fischer, E.O.; Schreiner, S.; Reckziegel, A., Chem. Ber., 1961, 94, 258. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [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]

Connor, Martinho-Simoes, et al., 1979, 2
Connor, Joseph A.; Martinho-Simoes, Jose A.; Skinner, Henry A.; Zafarani-Moattar, Mohammad T., Thermochemistry of bis-arene- and arenetricarbonyl-chromium compounds containing hexamethylbenzene, 1,3,5-trimethylbenzene and naphthalene., Journal of Organometallic Chemistry, 1979, 179, 3, 331-356, https://doi.org/10.1016/S0022-328X(00)91750-9 . [all data]

Herberich and Muller, 1969
Herberich, G.E.; Muller, J., Massenspektren und Stabilitaten von Diaromatenchrom-Komplexen, J.Organometal. Chem., 1969, 16, 111. [all data]

Cabelli, Cowley, et al., 1982
Cabelli, D.E.; Cowley, A.H.; Lagowski, J.J., The bonding in some bis(arene)chromium compounds as indicated by U. V. photoelectron zpectroscopy, Inorg. Chim. Acta, 1982, 57, 195. [all data]

Evans, Green, et al., 1974
Evans, S.; Green, J.C.; Jackson, S.E.; Higginson, B., He(I) photoelectron spectra of some transition-metal sandwich complexes, J. Chem. Soc. Dalton Trans., 1974, 304. [all data]


Notes

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