14024-18-1Relevant articles and documents
RATE OF LIGAND EXCHANGE OF TRIS(ACETYLACETONATO)IRON(III) WITH TRIFLUOROACETYLACETONE AND TRIS(TRIFLUOROACETYLACETONATO)IRON(III) WITH ACETYLACETONE
Sekine, Tatsuya,Inaba, Kazuho
, p. 1669 - 1672 (1983)
The rate of ligand exchange of tris(acetylacetonato)iron(III) with trifluoroacetylacetone and tris(trifluoroacetylacetonato)iron(III) with acetylacetone in carbon tetrachloride has been measured spectrophotometrically and the reaction mechanism was discus
The direct electrochemical synthesis of transition metal acetylacetonates
Long,Lagowski
, p. 813 - 815 (2007)
Acetylacetonates were prepared electrochemically in good yield using the pure liquid ligand, acetylacetone, as the solvent, in which the supporting electrolyte, tetra-n-butyammonium hexafluorophosphate, was dissolved; the metal of interest served as the electrodes. The products were characterized by UV-visible spectrometry (color) and mass spectrometry. Both a lower, M(AcAc)2, and a higher, M(AcAc)3, oxidate state were formed for the cobalt and manganese systems; the identity of the product(s) could be biased by a careful choice of the potential used for the synthesis.
Achirality in the low temperature structure and lattice modes of tris(acetylacetonate)iron(III)
Ellis, Thomas K.,Kearley, Gordon J.,Piltz, Ross O.,Jayasooriya, Upali A.,Stride, John A.
, p. 8278 - 8283 (2016)
Tris(acetylacteonate) iron(iii) is a relatively ubiquitous mononuclear inorganic coordination complex. The bidentate nature of the three acetylacteonate ligands coordinating around a single centre inevitably leads to structural isomeric forms, however whether or not this relates to chirality in the solid state has been questioned in the literature. Variable temperature neutron diffraction data down to T = 3 K, highlights the dynamic nature of the ligand environment, including the motions of the hydrogen atoms. The Fourier transform of the molecular dynamics simulation based on the experimentally determined structure was shown to closely reproduce the low temperature vibrational density of states obtained using inelastic neutron scattering.
Isomerism, molecular structure, and vibrational assignment of tris(triflouroacetylacetonato)iron(III): An experimental and theoretical study
Gandomi, Farzad,Takjoo, Reza,Tayyari, Sayyed Faramarz,Vakili, Mohammad
, (2022)
The isomerism, optimized molecular structure, UV spectrum, metal-ligand bond strength, and vibrational assignment of tris(triflouroacetylacetonato)iron(III), Fe(TFAA)3, were investigated by the aid of theoretical calculations (using DFT and Atoms-in-Molecules (AIM) at the B3LYP/6-311++G(d,p) level) and experimental methods (vibrational and UV spectroscopy). To explore the effect of the CF3 substituent in the β-position on the properties of complex, the above theoretical and experimental results of the titled complex compared with the corresponding data for tris(acetylacetonato) iron(III), Fe(AA)3. Both theoretical and experimental results confirmed that there is no significant difference in the strength of the Fe?O bond in these complexes. The effect of the CF3 group on the experimental vibrational bands of the chelated ring agrees with the calculated results. Comparing the observed and calculated vibrational spectra suggests that vibrational spectroscopy cannot be used to determine the type of isomer in the sample. However, due to the small difference of energy between the fac and mer isomers in the Fe(TFAA)3, the presence of both isomers in the sample is possible. The computed quantum chemical descriptors of Fe(TFAA)3 and Fe(AA)3 were also compared.
Preparation and characterisation of crystalline tris(acetylacetonato)Fe(III) films grown on p-Si substrate for dielectric applications
Dakhel,Ali-Mohamed
, p. 162 - 167 (2007)
Thin tris(acetylacetonato)iron(III) films were prepared by sublimation in vacuum on glass and p-Si substrates. Then comprehensive studies of X-ray fluorescence (XRF), X-ray diffraction (XRD), optical absorption spectroscopy, AC-conductivity, and dielectric permittivity as a function of frequency and temperature have been performed. The prepared films show a polycrystalline of orthorhombic structure. The optical absorption spectrum of the film was identical with that of the bulk powder layer. For electrical measurements of the complex as insulator, sample in form of metal-insulator-semiconductor (MIS) structure was prepared and characterised by the measurement of the capacitance and AC-conductance as a function of gate voltage. From those measurements, the state density Dit at insulator/semiconductor interface and the density of the fixed charges in the complex film were determined. It was found that Dit was of order 1010 eV-1/cm2 and the surface charge density in the insulator film was of order 1010 cm-2. The frequency dependence of the electrical conductivity and dielectric properties of MIS structures were studied at room temperature. It was observed that the experimental data follow the correlated barrier-hopping (CBH) model, from which the fundamental absorption edge, the cut off hopping distance, and other parameters of the model were determined. It was found that the capacitance of the complex increases as temperature increases. Generally, the present study shows that the tris(acetylacetonato)iron(III) films grown on p-Si is a promising candidate for low-k dielectric applications, it displays low-k value around 2.0.
Menzies
, p. 565 (1928)
Kinetics and Mechanism of Ligand Exchange of Tris(acetylacetonato)-iron(III) in Acetylacetone
Kido, Hiroaki,Saito, Kazuo
, p. 424 - 428 (1980)
Tris(acetylacetonato)iron(III) undergoes ligand exchange in acetylacetone at 4-16 deg C without side reactions.The exchange rate is expressed by Rate = (ka + kb)( ca. 0.01 M, ca. 0.05 M), and the rate constant (10.2 deg C) and activation parameters are ka = (8.9 +/- 1.2) * 10-4 s-1, ΔH = 14.4 +/- 0.9 kcal mol-1, ΔS = -22 +/- 3 cal K-1 mol-1 and kb = (2.22 +/- 0.20) * 10-2 M-1 s-1, ΔH = 16.9 +/- 0.4 kcal mol-1, ΔS = -6.1 +/- 1.3 cal K-1 mol-1 (1 cal = 4.18 J, 1 M = 1 mol dm-3).No deuterium isotope effect on the rate.The rate-determining steps seem to correspond to the formation of intermediates containing a one-ended acac- and an Hacac molecule (the ka path), and the anion and a water molecule (the kb path), by the SN2 mechanism.
Optimized molecular geometry, vibrational analysis, and Fe-O bond strength of Tris(α-cyanoacetylacetonate)iron(III):An experimental and theoretical study
Darugar, Vahidreza,Gandomi, Farzad,Takjoo, Reza,Tayyari, Sayyed Faramarz,Vakili, Mohammad
, (2021/09/16)
Tris(α-cyanoacetylacetonate)iron(III), Fe(CNacac)3, was synthesized and its molecular geometry, Raman, IR, and UV spectra were recorded and analyzed with the mentioned calculated spectra by using the B3LYP/6-311++G(d,p) level and comparing with tris(acetylacetonate)iron(III), Fe(acac)3, as parent molecule. A full assignment along to major contributes for of UV and vibrational experimental bands with their potential energy distribution (PED) of Fe(CNacac)3, has been done. The calculated and experimental results, including molecular geometry, Atoms in Molecules (AIM), Natural bond orbital (NBO) analysis, vibration and UV-Vis spectra were shown the cyano substitution in α position, increases the resonance of chelating ring and increases the Fe?O bond strength of the mentioned molecule in comparison to that Fe(acac)3.
