Iron, tricarbonyl[(1,2,3,4-η⁴)-1,3,5,7-cyclooctatetraene]-

• Formula: C₁₁H₈FeO₃
• Molecular weight: 244.024
• IUPAC Standard InChI: InChI=1S/C8H8.3CO.Fe/c1-2-4-6-8-7-5-3-1;3*1-2;/h1-8H;;;; Copy

  
• IUPAC Standard InChIKey: XAOCYVWRKJTXOL-UHFFFAOYSA-N Copy
• CAS Registry Number: 12093-05-9
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Cyclooctatetraeneiron tricarbonyl; Iron, tricarbonyl[(1,2,3,4-η)-1,3,5,7-cyclooctatetraene]-; Iron, tricarbonyl(1,3,5,7-cyclooctatetraene)-; Cyclooctatetraenetricarbonyliron; Tricarbonyl (1,3,5,7-cyclooctatetraene)iron; Tricarbonyl(cyclooctatetraene)iron
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
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Gas 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:
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

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Notes

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

Martinho Simões
Martinho Simões, J.A., Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]

Opitz, Bruch, et al., 1994
Opitz, J.; Bruch, D.; VonBunau, G., Multiphoton excitation of tricarbonyl-cyclooctatetraene-iron. Wavelength-dependent competition between ionization and dissociation, Int. J. Mass Spectrom. Ion Processes, 1994, 135, 181. [all data]

Bohm and Gleiter, 1980
Bohm, M.C.; Gleiter, R., The electronic structure and the He(I) photoelectron spectrum of tricarbonylcyclooctatetraene-iron, Z. Naturforsch. B:, 1980, 35, 1028. [all data]

Green, Powell, et al., 1976
Green, J.C.; Powell, P.; Van Tilborg, J., He(I) photoelectron spectra of tricarbonyl-iron and -ruthenium complexes of cyclic dienes, and of tricarbonylcycloheptatriene- and tricarbonylcyclooctatetraene-iron, J. Chem. Soc. Dalton Trans., 1976, 1974. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

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