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a Unit cell without defects, b axial Fe3+-V(O) center, and c rhombic Fe3+-2 V(O) center.
Fig. 8 Illustration of the distance from the O center to a LPO WFC, dO-wfc, and the angle formed by the LPO WFCs and the O center Θwfc-O-wfc.
The presence of V+ O center may be indicate about tend to form bound magnetic polarons, coupling surrounding Mn2+ spins within their orbits.
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Catalytic activity of different surface species that contain oxygen (surface O centers, surface OH and H2O groups, adsorbed O2) in MoO3 and V2O5 systems are examined using cluster model.
V+ O centers make the bound magnetic polarons active by exchange interaction, leading to the formation of ferromagnetic domains [11].
The probability is 50% in our case that corresponds to the experimentally determined ratio of the axial (Fe-V(O)) and rhombic (Fe-2 V(O)) centers in KTaO3 and KNbO3 [9, 10, 15].
With increasing of concentration of V+ O centers, greater the volume occupied by bound magnetic polarons and larger the probability of Mn ions overlapping leads to a long-range ferromagnetic ordering.
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The first reason is that different O-related centers have anisotropic g-factors with one component being close (or less) to the free electron g value (g e ), while another one being much higher (for example g || = 2.442 and g ⊥ = 1.948 for the surface O2 - center in CdS; g || = 1.972 and g ⊥ = 2.309 for the surface O- center in CdS powder [29]).
This supramolecule possesses a lowest unoccupied molecular orbital (LUMO) localized on the central μ-dpq bridging ligand (BL) and a highest occupied molecular orbital (HOMO) localized on the terminal Os centers, providing significant spatial separation of these donor and acceptor orbitals.
Anticancer activity: Iminopyridine- and azopyridine-containing complexes 56, 57 with Ru and Os centers can exhibit potent anticancer activity.
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