Ferric tris(acetylacetonate)
- Formula: C15H21FeO6
- Molecular weight: 353.169
- IUPAC Standard InChIKey: AQBLLJNPHDIAPN-LNTINUHCSA-K
- 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)
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Gas phase ion energetics data
Go To: Top, 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
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.865 ± 0.022 | IMRE | Sharpe, Eyler, et al., 1990 | EA given is actually -ΔGea(350 K); B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.6 ± 0.2 | PE | Westmore, Reimer, et al., 1981 | LLK |
8.64 ± 0.11 | EI | Schildcrout, Pearson, et al., 1968 | RDSH |
8.45 ± 0.05 | EI | Bancroft, Reichert, et al., 1968 | RDSH |
8.6 | PE | Shcheka and Vovna, 1992 | Vertical value; LL |
8.20 | PE | Akopyan, Vovna, et al., 1990 | Vertical value; LL |
7.89 | EI | Westmore, Reimer, et al., 1981 | Vertical value; LLK |
8.10 ± 0.07 | PE | Evans, Hamnett, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C10H14O4Fe+ | >9.4 ± 0.1 | ? | EI | Bancroft, Reichert, et al., 1968 | RDSH |
Mass spectrum (electron ionization)
Go To: Top, 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
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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 |
References
Go To: Top, 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.
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, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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