Ferric tris(acetylacetonate)

• Formula: C₁₅H₂₁FeO₆
• Molecular weight: 353.169
• IUPAC Standard InChI: InChI=1S/3C5H8O2.Fe/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-; Copy

  
• IUPAC Standard InChIKey: AQBLLJNPHDIAPN-LNTINUHCSA-K Copy
• CAS Registry Number: 14024-18-1
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Iron, tris(2,4-pentanedionato-O,O')-, (OC-6-11)-; (Acetylacetonato)iron(iii); Iron, tris(2,4-pentanedionato)-; Ferric acetylacetonate; Ferric tris(acetoacetonate); Iron acetylacetonate; Iron triacetylacetonate; Iron tris(acetoacetonate); Iron tris(acetylacetonate); Iron tris(2,4-pentanedionate); Iron(iii) acetylacetonate; Iron(3+) acetylacetonate; Tris(acetylacetonato)iron; Tris(acetylacetone)iron; Tris(2,4-pentanedionato)iron; Iron(III) 2,4-pentanedionate; Ferric(III) acetylacetonate; Ferric triacetylacetonate; Acetope Fe(II); Nacem Iron; NSC 43622; tris(pentane-2,4-dionato)iron(II)
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• Information on this page:
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • 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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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.

Sharpe, Eyler, et al., 1990
Sharpe, P.; Eyler, J.R.; Richardson, D.E., Free Energies of Electron Attachment to Tris(acetylacetonate) and Tris(hexafluoroacetylacetonate) Transition-Metal Complexes in the Gas Phase: Experimental Results and Ligand Field Analysis, Inorg. Chem., 1990, 29, 15, 2779, https://doi.org/10.1021/ic00340a014 . [all data]

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]

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]

Bancroft, Reichert, et al., 1968
Bancroft, G.M.; Reichert, C.; Westmore, J.B., Mass spectral studies of metal chelates. II. Mass spectra and appearance potentials of acetylacetonates of trivalent metals of the first transition series, Inorg. Chem., 1968, 7, 870. [all data]

Shcheka and Vovna, 1992
Shcheka, O.L.; Vovna, V.I., Electronic structure of some copper(II) and iron(III) -diketonates, J. Electron Spectrosc. Relat. Phenom., 1992, 60, 211. [all data]

Akopyan, Vovna, et al., 1990
Akopyan, M.E.; Vovna, V.I.; Kleimenov, S.N.; Lopatin, S.N.; Ustinov, A.Yu., Photoelectron spectroscopy of aluminum, chromium, and iron tris-B-diketonates, Opt. Spectrosc., 1990, 69, 53. [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]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity

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