The
modern progress of bionanotechnologies and molecular electronics
requires development of new organic materials with specific characteristics
for formation of ultrathin films with specified magnetic or conductive
properties. Here we need new experimental and computing methods creation.
In this work a new effect is experimentally discovered in temperature
behavior of electronic properties of the complex with a magnetic probe
(iron ion) in poly(ortho-methoxyaniline) (PoMA). Using quantum chemical
calculation we determine the structure of the magnetic probe’s
immediate environment. The electron structure of the polymer specifies
peculiarities of its doping and charge transport. The iron magnetic
probe allows measuring of the complex’s electron structure
dynamic characteristics in the polymer using the method of electron
spin resonance for temperature range T = 4.2–295
K. The height of the barrier between the minima of potential of the
intramolecular electric field of the complex is established.
Spectroscopic investigations of a ZnAl(2)O(4) spinel doped with bivalent copper ions of 0.05% concentration have been carried out in the temperature range 4.2-290 K using a 3 cm(-1) range electron paramagnetic resonance (EPR) spectrometer having an operational frequency f = (9.241 ± 0.001) GHz. The spectrum can be represented as a superposition of two components: a low-temperature (LT) and a high-temperature (HT) one. Redistribution of integrated intensity between HT and LT components of the spectra occurs with temperature change that is typical of systems with multi-minimum adiabatic potential. Spectra observed are explained within the modified theory of crystalline field (MTCF). The electron levels of a Cu(2+) ion placed in an octahedral coordination center with trigonal distortion [CuO(6)](10-) have been calculated. The influence of possible types of oxygen octahedron distortions and possible displacement of copper ions from the symmetry center on the electron spectrum, as well as the shape of the adiabatic potential, has been analyzed. It is shown that in the low-temperature phase the multiple minima of the adiabatic potential occur due to tetragonal distortions while the depth of a minimum is determined by the degree of trigonal octahedron distortions. Tetragonal distortion values and multi-minimum potential barrier heights have been determined.
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