Iron, tricarbonyl(η4-1,3-cyclobutadiene)-

• Formula: C₇H₄FeO₃
• Molecular weight: 191.950
• IUPAC Standard InChI: InChI=1S/C4H4.3CO.Fe/c1-2-4-3-1;3*1-2;/h1-4H;;;; Copy

  
• IUPAC Standard InChIKey: PHCIVYPTULNGTJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 12078-17-0
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Iron, tricarbonyl(1,3-cyclobutadiene)-; (Cyclobutadiene)(tricarbonyl)iron; Iron tricarbonyl cyclobutadiene
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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:
LL - Sharon G. Lias and Joel F. Liebman
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

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, 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.

Hall, Hillier, et al., 1975
Hall, M.B.; Hillier, I.H.; Connor, J.A.; Guest, M.F.; Lloyd, D.R., The electronic structure of transition metal complexes containing organic ligands III. Low energy photoelectron spectra ab initio SCF MO calculations of iron tricarbonyl cyclobutadiene, Mol. Phys., 1975, 30, 839. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Gleiter, Hyla-Kryspin, et al., 1992
Gleiter, R.; Hyla-Kryspin, I.; Binger, P.; Regitz, M., Electronic structure of 2,4-di-tert-butyl-η<4>-1,3-diphosphacyclobutadiene complexes with Fe(CO)₃ and .eta<5>-C₅H₅Co. Photoelectron spectra and molecular orbital calculations, Organometallics, 1992, 11, 177. [all data]

Worley, Webb, et al., 1980
Worley, S.D.; Webb, T.R.; Gibson, D.H.; Ong, T.-S., The photoelectron spectra of some iron tricarbonyl complexes of 4π-electron donor ligands, J. Electron Spectrosc. Relat. Phenom., 1980, 18, 189. [all data]

Ulman, Andersen, et al., 1978
Ulman, J.A.; Andersen, E.L.; Fehlner, T.P., Characterization of ferraboranes by ultraviolet photoelectron spectroscopy, J. Am. Chem. Soc., 1978, 100, 456. [all data]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References

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