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Bis(«eta»6-1,3,5-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
Deltafgas58. ± 25.kJ/molReviewMartinho Simões 
Deltafgas63.6 ± 6.6kJ/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-46. ± 25.kJ/molReviewMartinho Simões 
Deltafsolid-40.4 ± 6.5kJ/molReviewMartinho Simões 
Quantity Value Units Method Reference Comment
Deltacsolid-11038. ± 25.kJ/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
Deltasub104.0 ± 1.0kJ/molCC-SBConnor, Martinho-Simoes, et al., 1979MS
Deltasub104. ± 1.kJ/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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]

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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