Chromium, bis(η6-benzene)-


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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
solid,1 bar54.070cal/mol*KN/AAndrews, Westrum, et al., 1969 
solid,1 bar81.14cal/mol*KN/AAndrews, Westrum, et al., 1969 

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
53.521298.15Andrews, Westrum, et al., 1969T = 5 to 350 K.
78.49298.15Andrews, Westrum, et al., 1969T = 60 to 298.15 K.

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:
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δsub18.7 ± 1.5kcal/molN/APilcher and Skinner, 1983See also Connor, Skinner, et al., 1973.; AC
Δsub18.7 ± 1.5kcal/molN/AFischer and Schreiner, 1958AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
21.4343.AStephenson and Malanowski, 1987Based on data from 323. to 363. K.; AC

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
234.6crystaline, IIcrystaline, IAndrews, Westrum, et al., 1969DH

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
4.9EIDevyatykh, Larin, et al., 1969RDSH
5.9 ± 0.1EIMuller and Goser, 1968RDSH
5.7 ± 0.1EIPignataro and Lossing, 1967RDSH
5.40PECabelli, Cowley, et al., 1982Vertical value; LBLHLM
5.45 ± 0.02PEGuest, Hillier, et al., 1975Vertical value; LLK
5.4 ± 0.1PEEvans, Green, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H6+10.1?EIDevyatykh, Larin, et al., 1969RDSH
C6H6Cr+8.9?EIDevyatykh, Larin, et al., 1969RDSH
C6H6Cr+8.8 ± 0.2?EIMuller and Goser, 1968RDSH
C6H6Cr+9.2 ± 0.2?EIPignataro and Lossing, 1967RDSH
Cr+9.9 ± 0.3?EIDevyatykh, Larin, et al., 1969RDSH
Cr+10.8 ± 0.3?EIMuller and Goser, 1968RDSH

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.

Andrews, Westrum, et al., 1969
Andrews, J.T.S.; Westrum, E.F., Jr.; Bjerrum, N., Heat capacity and vapor pressure of crystalline bis(benzene)chromium. Third-law entropy comparison and thermodynamic evidence concerning the structure of bis(benzene)chromium, J. Organometal. Chem., 1969, 17, 293-302. [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]

Connor, Skinner, et al., 1973
Connor, J.A.; Skinner, H.A.; Virmani, Y., Microcalorimetric studies. Thermal decomposition and iodination of bis(benzene)chromium, bis(benzene)-chromium iodide, and some (arene)chromium tricarbonyls, J. Chem. Soc., Faraday Trans. 1, 1973, 69, 0, 1218, https://doi.org/10.1039/f19736901218 . [all data]

Fischer and Schreiner, 1958
Fischer, Ernst Otto; Schreiner, Siegfried, Über Aromatenkomplexe von Metallen, XX. Verbrennungswärme und Bildungswärme von Di-benzol-chrom, Chem. Ber., 1958, 91, 10, 2213-2215, https://doi.org/10.1002/cber.19580911029 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Devyatykh, Larin, et al., 1969
Devyatykh, G.G.; Larin, N.V.; Gaivoronskii, P.E., Mass spectrum of bis(benzene)chromiurn and the appearance potentials of ions, Zh. Obshch. Khim., 1969, 39, 1823, In original 1786. [all data]

Muller and Goser, 1968
Muller, J.; Goser, P., Massenspektroskopische Untersuchungen an Ubergangsmetall-π-Komplexen mit funf-, sechs- und siebengliedrigen aromatischen Ringliganden, J. Organometal. Chem., 1968, 12, 163. [all data]

Pignataro and Lossing, 1967
Pignataro, S.; Lossing, F.P., Mass spectra and ionization potentials of C6H6CrC6H6 and C6H6Cr(CO)3, J. Organometal. Chem., 1967, 10, 531. [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]

Guest, Hillier, et al., 1975
Guest, M.F.; Hillier, I.H.; Higginson, B.R.; Lloyd, D.R., The electronic structure of transition metal complexes containing organic ligands II. Low energy photoelectron spectra and ab initio SCF MO calculations of dibenzene chromium and benzene chromium tricarbonyl, Mol. Phys., 1975, 29, 113. [all data]

Evans, Green, et al., 1972
Evans, S.; Green, J.C.; Jackson, S.E., He(I) photoelectron spectra of some π-arene complexes, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 249. [all data]


Notes

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