Iron,methyldicarbonyl-π-cyclopentadienyl

• Formula: C₈H₈FeO₂
• Molecular weight: 191.993
• IUPAC Standard InChI: InChI=1S/C5H5.2CO.CH3.Fe/c1-2-4-5-3-1;2*1-2;;/h1-5H;;;1H3; Copy

  
• IUPAC Standard InChIKey: KPMZGIMZIFXNFA-UHFFFAOYSA-N Copy
• CAS Registry Number: 12080-06-7
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Iron,dicarbonyl(η⁵-2,4-cyclopentadien-1-yl)methyl-; Iron,methyldicarbonyl-η⁵-cyclopentadienyl
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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

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

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, 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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Bruch, Bunau, et al., 1995
Bruch, D.; Bunau, G.v.; Schindler, W.; Kisch, H., Electron impact and multiphoton ionization and fragmentation of dicarbonyl cyclopentadienyl methyl iron and pentamethylcyclopentadienyl dicarbonyl methyl iron, Int. J. Mass Spectrom. Ion Processes, 1995, 148, 105. [all data]

Fabian, Fehlner, et al., 1980
Fabian, B.D.; Fehlner, T.P.; Hwang, L.-S.J.; Labinger, J.A., Allylic interactions in organometallics: Probing electronic structure in (η⁵-C₅H₅)Fe(CO)₂R, R=CH₃,η¹-C₃H₅, η¹-C₅H₅, J. Organomet. Chem., 1980, 191, 409. [all data]

Lichtenberger and Fenske, 1976
Lichtenberger, D.L.; Fenske, R.F., The helium(I) photoelectron spectra and electronic structure of (η⁵-Cyclopentadienyl) d⁶ metal carbonyls, J. Am. Chem. Soc., 1976, 98, 50. [all data]

Symon and Waddington, 1975
Symon, D.A.; Waddington, T.C., Valence-band photoelectron spectra of some dicarbonyl(η-cyclopentadienyl)(ligand)iron compounds and tetrakis [carbonyl(η-cyclopentadienyl)iron(1)], J. Chem. Soc. Dalton Trans., 1975, 2140. [all data]

Notes

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

• Symbols used in this document:
  

  AE	Appearance energy

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