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
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry 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

Phase change 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:
AC - William E. Acree, Jr., James S. Chickos
MS - 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

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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]

Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A., Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2 . [all data]

Connor, Demain, et al., 1979
Connor, Joseph A.; Demain, Christopher P.; Skinner, Henry A.; Zafarani-Moattar, Mohammad T., Thermochemistry of η3-Allyltricarbonyliodoiron, Tricarbonyl (η4-cyclooctatetraene)iron and Tetracarbonyldiiodoiron. The Enthalpy Contributions of Allyliron and Cyclooctatetraene-iron Bonds, Journal of Organometallic Chemistry, 1979, 170, 1, 117-130, https://doi.org/10.1016/S0022-328X(00)83195-2 . [all data]

Connor, Demain, et al., 1979, 2
Connor, J.A.; Demain, C.P.; Skinner, H.A.; Zafarani-Moattar, M.T., J. Orgnometal. Chem., 1979, 170, 117. [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
  ΔsubH°	Enthalpy of sublimation at standard conditions

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