An historic and scientific study of the properties of metal(III) tris-acetylacetonates

Polyoxovanadate-alkoxide clusters as multi-electron charge carriers for symmetric non-aqueous redox flow batteries

“…V(acac) 3 has established utility as a NRFB electrolyte, and is cited to partially mitigate crossover due to its bulky ligand framework (diameter of V(acac) 3 = ∼9.8 Å). 50 , 61 For each test, an H-cell, divided by an anion exchange membrane (AMI-7001), was assembled with one half-cell containing 0.05 M of the electroactive species ( 1-V 6 O 7 (OMe) 12 , 6-V 6 O 7 (OEt) 12 , or V(acac) 3 ) and 0.5 M [NBu 4 ][PF 6 ], while the other half-cell contained solely the electrolyte, 0.5 M [NBu 4 ][PF 6 ]. The solutions were stirred at ∼1000 rpm, and the concentration of each side of the solution was measured over 10 days using UV-vis spectroscopy.…”

Remarkable reversal of 13C-NMR assignment in d1, d2 compared to d8, d9 acetylacetonate complexes: analysis and explanation based on solid-state MAS NMR and computations

“…For the [V(acac)3], a number of crystalline polymorphs of are known; 47 with the phase observed apparently dependent on the crystallisation solvent and the data collection temperature. The current example appears to be the same as that reported by Sanz-Ruiz et al 55 at room temperature, although no twinning was reported in that case and the current refinement is significantly better (see S2, Tables S10 and S11).…”

“…[VO(acac)2] and [Co(acac)3], which were used without further purification, and [V(acac)3] were bought from Sigma Aldrich. [V(acac)3] (0.9843 g) was recrystallized in degassed dry tetrahydrofuran (THF) under N2-atmosphere 47 by boiling the V(acac)3/THF solution and then cooling to room temperature. The solution was further cooled in a freezer (-18 o C) for a day yielding dark red crystals.…”

“…The PXRD diffractograms were checked with the reported crystal structures. 47,[54][55][56] Solid-state 13 C MAS-NMR spectra were recorded on a JEOL RESONANCE JNM-ECZ500R spectrometer equipped with an 11.7 T Oxford magnet, using a 3.2 mm double-resonance MAS probe (13-18 kHz spinning speeds, ambient temperatures), and on an Agilent INOVA spectrometer at 14.1 T using a 1.6 mm triple-resonance MAS probe (19-40 kHz spinning speeds) and with the temperature of the gas set to 30 °C. The 13 C chemical shifts, δiso( 13 C), were referenced to TMS using adamantane (δiso( 13 C) = 37.77 ppm) as a secondary reference.…”

Solubility model of metal complex in ionic liquids from first principle calculations

“…We observed that the metal complexes of almost similar COSMO volumes and surfaces have similar type of s proles while the metal complexes with different type of ligands have different s proles and their total COSMO volume and surfaces are found The initial conformers of I, II, III and IV have been taken from CSD database. 42,46 The color bar shows the COSMO charge density.…”