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:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

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

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes

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

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Grinberg, Lazarev, et al., 1987
Grinberg, Ya.Kh.; Lazarev, V.B.; Petukhov, V.V.; Novikova, G.Ya.; Sharpataya, G.A.; Ozerova, Z.P., Dokl. Akad. Nauk SSSR, 1987, 297, 633. [all data]

Fahlman and Barron, 2000
Fahlman, Bradley D.; Barron, Andrew R., Substituent effects on the volatility of metal ?-diketonates, Adv. Mater. Opt. Electron., 2000, 10, 3-5, 223-232, https://doi.org/10.1002/1099-0712(200005/10)10:3/5<223::AID-AMO411>3.0.CO;2-M . [all data]

Lazarev, Greenberg, et al., 1988
Lazarev, V.B.; Greenberg, J.H.; Ozerova, Z.P.; Sharpataya, G.A., DSC and vapour pressure investigation of some β-diketonates, Journal of Thermal Analysis, 1988, 33, 3, 797-799, https://doi.org/10.1007/BF02138589 . [all data]

Fontaine, Pommier, et al., 1972
Fontaine, R.; Pommier, C.; Guiochon, G., Bull. Soc. Chim. Fr., 1972, 8, 3011. [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]

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

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

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