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


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

Quantity Value Units Method Reference Comment
Deltasub18.9 ± 1.6kcal/molN/AGrinberg, Lazarev, et al., 1987 

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
12.4333. - 363.TGAFahlman and Barron, 2000 
14.3333. - 363.TGAFahlman and Barron, 2000 
18.5 ± 1.5334.BGGrinberg, Lazarev, et al., 1987Based on data from 324. - 344. K. See also Lazarev, Greenberg, et al., 1988.
26.20 ± 0.91335.N/AFontaine, Pommier, et al., 1972Based on data from 323. - 347. K.

Gas phase ion energetics data

Go To: Top, Phase change 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 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

IE (eV) Method Reference Comment
9.7 ± 0.2PEWestmore, Reimer, et al., 1981LLK
9.62 ± 0.05EIWestmore, Reimer, et al., 1981LLK
10.2 ± 0.1EIReichert, Bancroft, et al., 1970RDSH
10.34 ± 0.10EISchildcrout, Pearson, et al., 1968RDSH
10.13 ± 0.07PEEvans, Hamnett, et al., 1972Vertical value; LLK
10.14PELloyd, 1970Vertical value; RDSH
8.28PELloyd, 1970Vertical value; RDSH
10.13 ± 0.03PEEvans, Hamnett, et al., 1970Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C10H2O4F12Fe+10.2 ± 0.1?EIReichert, Bancroft, et al., 1970RDSH
C14H3O6F15Fe+11.1 ± 0.1?EIReichert, Bancroft, et al., 1970RDSH

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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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-2978
NIST MS number 231178

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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 «beta»-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