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-;
- IUPAC Standard InChIKey: NBPRJLXRDBDIFS-JVUUZWNBSA-K
- 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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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 |
|---|---|---|---|---|---|
| ΔsubH° | 18.9 ± 1.6 | kcal/mol | N/A | Grinberg, Lazarev, et al., 1987 |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 12.4 | 333. to 363. | TGA | Fahlman and Barron, 2000 | |
| 14.3 | 333. to 363. | TGA | Fahlman and Barron, 2000 | |
| 18.5 ± 1.5 | 334. | BG | Grinberg, Lazarev, et al., 1987 | Based on data from 324. to 344. K. See also Lazarev, Greenberg, et al., 1988. |
| 26.20 ± 0.91 | 335. | N/A | Fontaine, Pommier, et al., 1972 | Based on data from 323. to 347. K. |
Gas phase ion energetics data
Go To: Top, Phase change 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 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 ± 0.2 | PE | Westmore, Reimer, et al., 1981 | LLK |
| 9.62 ± 0.05 | EI | Westmore, Reimer, et al., 1981 | LLK |
| 10.2 ± 0.1 | EI | Reichert, Bancroft, et al., 1970 | RDSH |
| 10.34 ± 0.10 | EI | Schildcrout, Pearson, et al., 1968 | RDSH |
| 10.13 ± 0.07 | PE | Evans, Hamnett, et al., 1972 | Vertical value; LLK |
| 10.14 | PE | Lloyd, 1970 | Vertical value; RDSH |
| 8.28 | PE | Lloyd, 1970 | Vertical value; RDSH |
| 10.13 ± 0.03 | PE | Evans, Hamnett, et al., 1970 | Vertical value; RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C10H2O4F12Fe+ | 10.2 ± 0.1 | ? | EI | Reichert, Bancroft, et al., 1970 | RDSH |
| C14H3O6F15Fe+ | 11.1 ± 0.1 | ? | EI | Reichert, Bancroft, et al., 1970 | RDSH |
References
Go To: Top, Phase change data, Gas phase ion energetics data, 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, 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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