Search results for "Oxovanadium IV"
showing 3 items of 3 documents
A vanadyl Schiff base complex: {2,2'-[1,1'-(o-phenylenedinitrilo)bis(ethan-1-yl-1-ylidene)]diphenolato}oxovanadium(IV).
2011
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…
Prediction of Magnetic Properties in Oxovanadium(IV) Phosphates: The Role of the Bridging PO4 Anions
1998
Oxovanadium phosphates constitute a crystallochemically very rich family that, in turn, results in a seemingly intricate magnetochemistry including from isolated dimers to 3-D systems. This magnetic diversity is due, in part, to the possible participation of phosphate groups in the spin transfer between VIV centers. This way, 31P solid-state NMR becomes a key tool in determining the exchange paths involving phosphorus orbitals. The magnetic behavior of several layered oxovanadium phosphates M(VOPO4)2·4H2O (M = Na+, Ca2+, Ba2+, and Pb2+) has been investigated. Like it occurs in the case of other previously studied lamellar derivatives, the best fit of the temperature-dependent magnetic susce…
Superexchange pathways in oxovanadium(IV) phosphates
1992
Abstract Oxovanadium(IV) phosphates show a diversity of magnetic behaviours that cannot be deduced from their respective structural features only. In part, this is due to the involvement of phosphate bridges in the spin transfer between V(IV) centres, and 31P solid state nuclear magnetic resonance becomes a key tool in determining the exchange mechanisms. The magnetic properties of a wide set of vanadium(IV) containing derivatives can be explained by realizing that a good overlap of the magnetic orbits may be achieved through paths involving phosphorus d orbitals.