Ferric tris(acetylacetonate)

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Condensed 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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
solid,1 bar526.5J/mol*KN/AZhilina, Karyakin, et al., 1987 

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
429.9298.15Zhilina, Karyakin, et al., 1987T = 13 to 310 K.

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

Quantity Value Units Method Reference Comment
Tfus461.KN/AMurray and Hill, 1984Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Δsub128.6 ± 0.9kJ/molN/ARibeiro da Silva, Monte, et al., 1996AC
Δsub126.4 ± 3.1kJ/molMEMalkerova, Alikhanyan, et al., 1990Based on data from 309. to 360. K.; AC
Δsub138.4 ± 5.2kJ/molCMurata, Sakiyama, et al., 1985AC
Δsub65.3 ± 3.3kJ/molN/APilcher and Skinner, 1983See also Hill and Irving, 1968.; AC

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
112.413. to 443.TGAFahlman and Barron, 2000AC
124.6 ± 0.9378.TE,MERibeiro da Silva, Monte, et al., 1996Based on data from 369. to 388. K.; AC
114.2 ± 1.5338. to 355.N/AGerasimova, Gerasimova, et al., 1992AC
100.395.TMaslowska and Baranowski, 1981AC
114.2385.N/AGötze, Bloss, et al., 1970AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
30.1459.DSCSabolovic, Mrak, et al., 2004AC
25.3460.DSCSabolovic, Mrak, et al., 2004AC
22.6462.N/AMurray and Hill, 1984, 2AC
25.9454.N/AMelia and Merrifield, 1970AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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

EA (eV) Method Reference Comment
1.865 ± 0.022IMRESharpe, Eyler, et al., 1990EA given is actually -ΔGea(350 K); B

Ionization energy determinations

IE (eV) Method Reference Comment
7.6 ± 0.2PEWestmore, Reimer, et al., 1981LLK
8.64 ± 0.11EISchildcrout, Pearson, et al., 1968RDSH
8.45 ± 0.05EIBancroft, Reichert, et al., 1968RDSH
8.6PEShcheka and Vovna, 1992Vertical value; LL
8.20PEAkopyan, Vovna, et al., 1990Vertical value; LL
7.89EIWestmore, Reimer, et al., 1981Vertical value; LLK
8.10 ± 0.07PEEvans, Hamnett, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C10H14O4Fe+>9.4 ± 0.1?EIBancroft, Reichert, et al., 1968RDSH

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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IR 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

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin MACKENZIE CHEMICAL WORKS, INC., LONG ISLAND, NEW YORK
Source reference COBLENTZ NO. 4889
Date Not specified, most likely prior to 1970
State SOLID (KBr WAFER)
Instrument BECKMAN IR-4 (HYBRID PRISM-GRATING)
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY
Melting point 179 C
MW 353.18

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

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

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-9155
NIST MS number 230421

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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