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
  The 3d structure may be viewed using Java or Javascript.
• 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)
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Data at other public NIST sites:
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Condensed phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of solid

Phase change data

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

Enthalpy of fusion

Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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: Coblentz Society, Inc.

Condensed Phase Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

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

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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.

Zhilina, Karyakin, et al., 1987
Zhilina, M.N.; Karyakin, N.V.; Maslova, V.A.; Shvetsova, K.G.; Busygina, G.I.; Nikolaev, P.N., Specific heat and thermodynamic functions of iron(III) acetylacetonate, Zhur. Fiz. Khim., 1987, 61, 3098-3100. [all data]

Murray and Hill, 1984
Murray, J.P.; Hill, J.O., DSC determination of the fusion and sublimation enthalpy of tris(2,4-pentanedionato)chromium(III) and iron(III), Thermochim. Acta, 1984, 72, 341. [all data]

Ribeiro da Silva, Monte, et al., 1996
Ribeiro da Silva, Manuel A.V.; Monte, Manuel J.S.; Huinink, Jan, Vapour pressures and standard molar enthalpies of sublimation of two crystalline iron(III) β-diketonates. The mean molar (Fe-O) bond-dissociation enthalpies, The Journal of Chemical Thermodynamics, 1996, 28, 4, 413-419, https://doi.org/10.1006/jcht.1996.0041 . [all data]

Malkerova, Alikhanyan, et al., 1990
Malkerova, I.P.; Alikhanyan, A.S.; Sevast'yanov, V.G.; Grinberg, Ya.Kh.; Gorgoraki, V.I., Thermal behavior of 3d transition metal acetylacetonates, Zh. Neorg. Khim., 1990, 35, 2, 413. [all data]

Murata, Sakiyama, et al., 1985
Murata, S.; Sakiyama, M.; Seki, S., Sublimation calorimetric studies using a calvet microcalorimeter, Thermochimica Acta, 1985, 88, 1, 121-126, https://doi.org/10.1016/0040-6031(85)85419-8 . [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]

Hill and Irving, 1968
Hill, J.O.; Irving, R.J., The heat of formation of tris(acetylacetonato)iron(III) and the metal?oxygen bond energy, J. Chem. Soc., A, 1968, 1052, https://doi.org/10.1039/j19680001052 . [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]

Gerasimova, Gerasimova, et al., 1992
Gerasimova, P.A.; Gerasimova, A.I.; Fedotova, N.E.; Morozova, N.B.; Igumenov, I.K., Thermochemical study of iron(III) tris(β-diketonates), Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1992, 35, 9, 38. [all data]

Maslowska and Baranowski, 1981
Maslowska, J.; Baranowski, J.B., Chemia Analityczna, 1981, 26, 1017. [all data]

Götze, Bloss, et al., 1970
Götze, H.-J.; Bloss, K.; Molketin, H., Dampfdruckbestimmung von Acetylacetonaten, Zeitschrift für Physikalische Chemie, 1970, 73, 4₆, 314-320, https://doi.org/10.1524/zpch.1970.73.4₆.314 . [all data]

Sabolovic, Mrak, et al., 2004
Sabolovic, Jasmina; Mrak, Zeljko; Kostrun, Sanja; Janekovic, August, Is the Enthalpy of Fusion of Tris(acetylacetonato)metal(III) Complexes Affected by Their Potential Energy in the Crystal State?, Inorg. Chem., 2004, 43, 26, 8479-8489, https://doi.org/10.1021/ic048900u . [all data]

Murray and Hill, 1984, 2
Murray, J.P.; Hill, J.O., DSC determination of the fusion and sublimation enthalpy of tris(2,4-pentanedionato)chromium(III) and iron(III), Thermochimica Acta, 1984, 72, 3, 341-347, https://doi.org/10.1016/0040-6031(84)85092-3 . [all data]

Melia and Merrifield, 1970
Melia, T.P.; Merrifield, R., Thermal properties of transition metal compounds, Journal of Inorganic and Nuclear Chemistry, 1970, 32, 8, 2573-2579, https://doi.org/10.1016/0022-1902(70)80304-9 . [all data]

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

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

• Symbols used in this document:
  

  AE	Appearance energy
  Cp,solid	Constant pressure heat capacity of solid
  EA	Electron affinity
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  Tfus	Fusion (melting) point
  ΔfusH	Enthalpy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.