Crystal structure and thermal behavior of some cerium complexes with the fluorinated β-diketonate ligand 6,6,6-trifluoro-2,2-dimethyl-3,5-hexanedione (fdh)

Becht, M.; Dahmen, K. H.; Gramlich, Völker; Marteletti, Arianna

doi:10.1016/0020-1693(95)04989-4

Cited by 29 publications

(27 citation statements)

References 17 publications

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“…These values are comparable to those found for other homoleptic Ce(IV) -diketonate complexes [12,14,[30][31][32][33][34][35][36][37][38] and are considerably shorter than those for neutral and anionic Ce(III) -diketonate complexes [11,12,15,39]. There are no discernible differences in bonding parameters among the different independent molecules of the asymmetric unit of 1.…”

Section: X-ray Diffraction Studiessupporting

confidence: 88%

“…Heteroleptic Ce(III) -diketonates [11][12][13]15], along with air-sensitive tris[bis (trimethylsilyl)amide]cerium(III), have also been evaluated as precursors for MOCVD or ALE processes [16].…”

Section: Introductionmentioning

confidence: 99%

“…The thermal and CVD properties of other homoleptic Ce(IV) -diketonate complexes, containing ligands such as 6,6,6-trifluoro-2,2-dimethyl-3,5-hexanedionate [12,13] and 1-phenyl-5-methyl-1,3-hexanedionate [14] have been evaluated, as well. Heteroleptic Ce(III) -diketonates [11][12][13]15], along with air-sensitive tris[bis (trimethylsilyl)amide]cerium(III), have also been evaluated as precursors for MOCVD or ALE processes [16].…”

Section: Introductionmentioning

confidence: 99%

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Physical and Structural Characterization of Ce(IV) β-Diketonate Complexes: Evidence for Geometrical Isomers in the Solid-State

Delarosa

Bousman

Welch

et al. 2002

Journal of Coordination Chemistry

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The Ce(IV) -diketonate complexes CeL 4 [where L is txhd (2,2,6-trimethyl-3,5-heptanedionate) 1; tmod (2,2,7-trimethyl-3,5-octanedionate) 2; tmhd (2,2,6,6-tetramethyl-3,5-heptanedionate) 3] were prepared by the interaction of the sodium salt of the diketonate with cerium(III) nitrate hexahydrate in aqueous ethanol solution. Differential scanning calorimetry and thermogravimetric analysis showed that 1 has a significantly lower sublimation temperature, but higher decomposition temperature than 3. The solid-state structures of the three complexes were determined via single crystal x-ray diffraction methods. Complex 2, which does not sublime, had significantly closer intermolecular contacts than those found for 1 and 3.

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Section: X-ray Diffraction Studiessupporting

confidence: 88%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Physical and Structural Characterization of Ce(IV) β-Diketonate Complexes: Evidence for Geometrical Isomers in the Solid-State

Delarosa

Bousman

Welch

et al. 2002

Journal of Coordination Chemistry

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“…These values can be used to estimate the thermodynamic stability of compounds of such type, which turns out to be fairly low. The findings are consistent with a tendency of mixed-ligand molecules to dissociate to parent species in the gas phase [36,37]. Low bonding energies are in agreement with the experimentally determined energies of the gas-phase dissociation of complexes studied in mass-spectrometry experiments [36,37].…”

Section: ␤-Diketonate-based Lanthanidesupporting

confidence: 88%

“…The Ln(dik) 3 -Phen bonding energy obtained at the DFT/B3PW91 level agrees well with the experimental mass-spectrometry data [36,37].…”

Section: Discussionsupporting

confidence: 74%

QM/MM modeling of the structures and properties of the β‐diketonate–based lanthanide complexes

Nemukhin¹,

Rogachev²,

Konyukhov³

et al. 2005

Int J of Quantum Chemistry

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ABSTRACT:The structure and properties of the lanthanum and lutetium ␤-diketonates and mixed Ln(dik) 3 ligand complexes with o-phenantroline, Ln(dik) 3 Phen, are modeled by using the quantum mechanical/molecular mechanical (QM/MM) technique with the universal force fields (UFF) in the MM part. The set of parameters for UFF was adjusted to obtain the adequate modeling of the structures. The LnOO and Ln(dik) 3 OPhen bond energies were estimated by using the single-point calculations with Becke's three-parameter functional with Perdew-Wang correlational functional density functional theory. It is shown that the LnOO and Ln(dik) 3 OPhen bond energies are decreasing in the series from nonbulky ␤-diketonate ligands to their branched analogs. The introduction of the fluorinated substituents leads to substantial increase in bond energy. The natural bond orbital analysis was used for characterization of electronic structure of the complexes.

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Trends in precursor design for conventional and aerosol-assisted CVD of high-Tc superconductors

Hubert‐Pfalzgraf

Guillon

1998

Appl. Organometal. Chem.

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Conventional MOCVD techniques require molecules displaying volatility and constant vapor pressure. Metal oxide precursors, i.e., β‐diketonates, or classical or functionalized metal alkoxides are mostly solids. The various approaches used to tailor volatility are discussed with barium derivatives as an example. The relationships between sublimation temperature and molecular weight suggest that volatility can be optimized on the basis of molecular weight. Aerosol‐assisted CVD (AACVD) can use a larger range of precursors since volatility is no longer crucial. The solvent is an undesired ballast in a CVD process. High solubility of the precursors in the selected solvent is thus desirable. ‘Stability’ here includes the absence of precipitation which would change the stoichiometry of the feed solution for multicomponent oxides. Precipitation is often promoted by hydrolysis; stability toward moisture is thus desirable. The use of mixtures of precursors based on different ligands (β‐diketonates, β‐ketoesterates, alkoxides) can lead to ligand exchange reactions giving homometallic species, sometimes of low solubility, or mixed‐metal species by self‐assembly, thus improving solubility and stability toward moisture. These aspects are illustrated in compositions related to high‐Tc superconductors. Novel copper, yttrium, cerum(IV), barium‐copper, yttrium‐copper and praseodynium‐copper species are reported. © 1998 John Wiley & Sons, Ltd.

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Crystal structure and thermal behavior of some cerium complexes with the fluorinated β-diketonate ligand 6,6,6-trifluoro-2,2-dimethyl-3,5-hexanedione (fdh)

Cited by 29 publications

References 17 publications

Physical and Structural Characterization of Ce(IV) β-Diketonate Complexes: Evidence for Geometrical Isomers in the Solid-State

Physical and Structural Characterization of Ce(IV) β-Diketonate Complexes: Evidence for Geometrical Isomers in the Solid-State

QM/MM modeling of the structures and properties of the β‐diketonate–based lanthanide complexes

Trends in precursor design for conventional and aerosol-assisted CVD of high-Tc superconductors

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