0000000000349324
AUTHOR
Krzysztof Kurzak
A vanadyl Schiff base complex: {2,2'-[1,1'-(o-phenylenedinitrilo)bis(ethan-1-yl-1-ylidene)]diphenolato}oxovanadium(IV).
The green crystals of the title compound, [V(C(22)H(18)N(2)O(2))O], represent a mononuclear oxovanadium complex. The central V(IV) centre has a distorted square-pyramidal coordination. Two N atoms and two O atoms of the Schiff base ligand define the base of the pyramid, and the oxide O atom is in the apical position. Density functional theory (DFT) calculations were performed to analyse the changes in the geometry of the ligand during the complex formation. The most significant changes are observed in the values of the torsion angles in the vicinity of the donor N atoms. The HOMA index (Harmonic Oscillator Model of Aromaticity) has been calculated to compare the aromaticity of the benzene r…
Oxovanadium(IV) complexes with [ONNO]-chelating ligands as catalysts for ethylene homo- and copolymerization
Oxovanadium(IV) complexes with (ONNO)-type tetradentate Schiff base ligands: salen, acacen, aceten, acetph (H2salen = N,N'-ethylenebis(salicylideneimine), H2aceten = N,N'-ethylenebis(2-hydroxyacetophenoneimine), H2acacen = N,N'-ethylenebis(acetylacetonimine), H 2 acetph = N ,N ' -phenylene-1,2-b is (2-hydroxyacetophenoneimine)), were the first time investi- gated in ethylene polymerization and ethylene/1-octene copo- lymerization processes. In general, all these complexes are moderately active precatalyst for ethylene polymerization up- on activation with EtAlCl2 and they give high molecular weight linear polyethylenes. Their activity in copolymeriza- tion was found relatively low. However,…
Coordination properties of some nickel(II) monophosphono dipeptides species in aqueous solution: The role of phosphonic oxygen in complex stabilization and ligand-fields analysis
Abstract Equilibrium studies on the nickel(II) complexes of oxygen and nitrogen donor ligand (monophosphono dipeptides: 1- (N- l -leucylamino)methylphosphonic acid – Leu-Gly(P), and a thioether sulfur donor ligands (monophosphono dipeptides: 1-N-(glycyloamino)-2-(S-benzylthio)ethanephosphonic acid – Gly-(Bz)Cys(P), d (−) and Gly-(Bz)Cys(P), d (+) were performed by potentiometric titration and NIR–Vis spectroscopy. Additionally, the ligand-field parameters (CFM/AOM) were estimated and discussed in the tetragonal distortion framework. The lowest tetragonal distortion was observed in the case of the [NiHL] species, whereas the strongest in the case of [NiL2] species. In the latter species the …
X-ray and DFT-calculated structures of a vanadyl Schiff base complex: (methanol-κO)[2-methoxy-6-({2-[(2-oxido-3-methoxybenzylidene)amino]benzyl}iminomethyl)phenolato-κ4O1,N,N,O1′]oxidovanadium(IV) monohydrate
The central VVatom in the title mononuclear oxovanadium complex, [VO(C23H20N2O4)(CH3OH)]·H2O, has a distorted octahedral coordination. Two N atoms and two O atoms of the Schiff base define the base of the bipyramid and two O atoms are in the apical positions, one from vanadyl and the second from methanol. Density functional theory (DFT) calculations were performed for the title complex and its ligand to compare their geometry in the solid and gas phases. Additional analyses were made of the changes in the geometry of the ligand during complex formation. The HOMA (harmonic oscillator model of aromaticity) descriptor of π-electron delocalization was calculated to estimate the aromaticity of t…