Parameter recovery in magnetic susceptibility models

The paper is devoted to the recovery of parameters in magnetic susceptibility models. One of the problems of magnetochemistry is the construction of the theory of exchange interactions, allowing to identify, investigate and explain the causes of magnetic ordering in crystals; to study the relationship of parameters of exchange interactions with peculiarities of electronic structure and chemical bonds in studied compounds. The fundamental importance and relevance of this study is determined by the need to study the physical properties of new magnetic materials and is aimed at studying the most common effects and interactions that form the quantum states of matter. The practical significance of magnetochemical research consists in the systematic study of the magnetic properties of different groups of compounds on the basis of transition metal complexes, and the construction of models of the type of compounds suitable in applications. New results of parameter recovery in magnetochemistry models for studying chemical compounds according to experimental data that are measurements of the temperature dependence of magnetic susceptibility were obtained in this article. Dependencies obtained from the Heisenberg-Dirac-Van-Fleck model were applied. The corresponding materials of paramagnetic complexes of transition metals were used as components in molecular electronic and photochemical devices for storing and transferring information, as converters of solar energy. Theoretical concepts of magnetic susceptibility were obtained depending on the spin characteristics of compounds that contain the desired parameters. Basing on experimental data and minimizing quadratic functionals, the dependence parameters were found. Their coincidence with the well-known results was shown. Formulas for clusters of dimensions 3 and 4 have been derived, methods of parameter recovery for solving magnetochemical problems have been described and their application has been demonstrated, and an algorithm for solving the opposite problem has been presented. The aim of the article is to study the methods of recovery of dependencies in the solution of magnetochemical problems, as well as to develop an algorithm that allows the experimental data to establish the type of connection to be investigated.