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
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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

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.

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

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• Symbols used in this document:
  

  AE	Appearance energy

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