RESUMO
The copper phytate IP6Cu, IP6Cu2 and IP6Cu3 complexes were synthesized changing the phytate to metal mole ratio. The obtained products have been characterized by means of chemical and spectroscopic studies. Spectroscopic ATR/IR, FT-Raman, UV-Vis, EPR and magnetic measurements were carried out. The structures of these compounds have been proposed on the basis of the group theory and geometry optimization taking into account the shape and number of the bands corresponding to the stretching and bending vibrations of the phosphate group and metal-oxygen polyhedron. The role of the inter- and intra-hydrogen bonds in stabilization of the structure has been discussed. EPR studies showed that a local rhombic symmetry of copper ions appears in the studied phytates. Dominant interactions show antiferromagnetic properties depending on the content of paramagnetic ions.
Assuntos
Complexos de Coordenação/química , Cobre/química , Ácido Fítico/química , Teoria da Densidade Funcional , Espectroscopia de Ressonância de Spin Eletrônica , Modelos Moleculares , Conformação Molecular , Espectrofotometria Ultravioleta , Espectroscopia de Infravermelho com Transformada de Fourier , Análise Espectral RamanRESUMO
Single crystals of NdVO4 were grown by the Czochralski method under ambient pressure in a nitrogen atmosphere. Obtained crystals were transparent with strong violet coloring. Temperature and angular dependences of electron paramagnetic resonance (EPR) spectra of the samples in the 3-103 K temperature range were analyzed applying Dyson like lineshape typically used for concentrated magnetic system. EPR-NMR program was used to find local symmetry and spin-Hamiltonian parameters of neodymium ions.
