1,1,1,5,5,5-Hexafluoroacetylacetone iron(III) salt

• Formula: C₁₅H₃F₁₈FeO₆
• Molecular weight: 676.997
• IUPAC Standard InChI: InChI=1S/3C5H2F6O2.Fe/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/q;;;+3/p-3/b3*2-1-; Copy

  
• IUPAC Standard InChIKey: NBPRJLXRDBDIFS-JVUUZWNBSA-K Copy
• CAS Registry Number: 17786-67-3
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Iron, tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-O,O')-, (OC-6-11)-; Iron, tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)-; Iron, tris(1,1,1,5,5,5-hexafluoroacetylacetonato)-; Tris(hexafluoroacetylacetonato)iron; Iron, tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-O,O'-); Iron tris(1,1,1,5,5,5-hexafluoroacetylacetate)
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • 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 compiled as indicated in comments:
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

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.

Westmore, Reimer, et al., 1981
Westmore, J.B.; Reimer, M.L.J.; Reichert, C., Ionization energies of metal chelates. Acetylacetonates, trifluoroacetylacetonates, and hexafluoroacetylacetonates of trivalent metals of the first transition series, Can. J. Chem., 1981, 59, 1797. [all data]

Reichert, Bancroft, et al., 1970
Reichert, C.; Bancroft, G.M.; Westmore, J.B., Mass spectral studies of metal chelates. V. Mass spectra and appearance potentials of some fluorine-substituted acetylacetonates, Can. J. Chem., 1970, 48, 1362. [all data]

Schildcrout, Pearson, et al., 1968
Schildcrout, S.M.; Pearson, R.G.; Stafford, F.E., Ionization potentials of tris(-diketonate)metal(III) complexes and Koopmans' theorem, J. Am. Chem. Soc., 1968, 90, 4006. [all data]

Evans, Hamnett, et al., 1972
Evans, S.; Hamnett, A.; Orchard, A.F.; Lloyd, D.R., Study of the metal-oxygen bond in simple tris-chelate complexes by He(I) photoelectron spectroscopy, Faraday Discuss. Chem. Soc., 1972, 54, 227. [all data]

Lloyd, 1970
Lloyd, D.R., Photoelectron spectra of transition-metal hexafluoroacetylacetonates and the supposed breakdown of Koopmans' theorem in these compounds, Chem. Commun., 1970, 868. [all data]

Evans, Hamnett, et al., 1970
Evans, S.; Hamnett, A.; Orchard, A.F., The helium(I) photoelectron spectrum of tris(hexafluoroacetylacetonato)iron(III)., Chem. Commun., 1970, 1970, 1282. [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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