Chromium, bis(η6-benzene)-

• Formula: C₁₂H₁₂Cr
• Molecular weight: 208.2198
• IUPAC Standard InChI: InChI=1S/2C6H6.Cr/c2*1-2-4-6-5-3-1;/h2*1-6H; Copy

  
• IUPAC Standard InChIKey: HVURSIGIEONDKB-UHFFFAOYSA-N Copy
• CAS Registry Number: 1271-54-1
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Chromium, bis(benzene)-; Bis(benzene)chromium; Dibenzenechromium; bis(η⁶-Benzene) chromium; Bis(benzene)chromium(0)
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Data at other public NIST sites:
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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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

Constant pressure heat capacity of solid

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

Enthalpy of sublimation

Temperature of phase transition

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

Appearance energy determinations

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

References

Go To: Top, 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.

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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• Symbols used in this document:
  

  AE	Appearance energy
  Cp,solid	Constant pressure heat capacity of solid
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  Ttrs	Temperature of phase transition
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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