Cobalt, dicarbonyl(η5-2,4-cyclopentadien-1-yl)-

• Formula: C₇H₅CoO₂
• Molecular weight: 180.0466
• IUPAC Standard InChI: InChI=1S/C5H5.2CO.Co/c1-2-4-5-3-1;2*1-2;/h1-5H;;; Copy

  
• IUPAC Standard InChIKey: HUSLGLMTBHLWKG-UHFFFAOYSA-N Copy
• CAS Registry Number: 12078-25-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Cobalt, dicarbonyl-π-cyclopentadienyl-; η5-Cyclopentadienylcobalt dicarbonyl; π-Cyclopentadienylcobalt dicarbonyl; π-Cyclopentadienyldicarbonylcobalt; Cyclopentadienylcobalt dicarbonyl; Cyclopentadienyldicarbonylcobalt; Dicarbonyl(η5-cyclopentadienyl)cobalt; Dicarbonyl-π-cyclopentadienyl cobalt; Dicarbonylcyclopentadienylcobalt; Cobalt cyclopentadienyl dicarbonyl; Dicarbonyl(η5-2,4-cyclopentadien-1-yl)cobalt
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• Information on this page:
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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: José A. Martinho Simões

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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chipperfield, Sneyd, et al., 1979
Chipperfield, J.R.; Sneyd, J.C.R.; Webster, D.E., J. Organometal. Chem., 1979, 178, 177. [all data]

McDonald and Schell, 1988
McDonald, R.N.; Schell, P.L., Gas Phase Ligand Substitution Reactions with (OC)Fe(NO)₂^-, (OC)₂Co(NO)^-, (n₃-C₃H₅)Co(CO)₂^-, (C₃H₅)Co(CO)₃^-, and CpCo(CO)₂^-, Organomet., 1988, 7, 8, 1806, https://doi.org/10.1021/om00098a019 . [all data]

Lichtenberger, Calabro, et al., 1984
Lichtenberger, D.L.; Calabro, D.C.; Kellogg, G.E., Electronic structure and bonding characteristics of cyclopentadienyl d8 metal-ligand complexes. Core and valence ionization study of CpM(CO)₂ Where M = Co and Rh and Cp = η5-C₅H₅ and η5-C₅(CH₃)₅, Organometallics, 1984, 3, 1623. [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]

Winters and Kiser, 1965
Winters, R.E.; Kiser, R.W., Ions produced in the mass spectrometer from cyclopentadienylmetal carbonyl compounds of cobalt, manganese and vanadium, J. Organometal. Chem., 1965, 4, 190. [all data]

Dudeney, Green, et al., 1983
Dudeney, N.; Green, J.C.; Grebenik, P.; Kirchner, O.N., Synthesis and structural characterization of the electron rich complexes Co(η-C₅Me₅)(R₂PCH₂CH₂PR₂) (R = Me, Ph) photoelectron spectroscopic studies of some pentamethylcyclopentadienylphosphinecobalt complexes, J. Organomet. Chem., 1983, 252, 221. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  ΔfH°solid	Enthalpy of formation of solid at standard conditions

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