Investigation magnetic behavior of Eu+3 complex in diffirent geometries

In this study, How magnetic behavior of five different compounds containing Eu metal from lanthanides in different geometries changed under the ligand field was investigated. Five different copmlexes was structurally optimized by using the Gaussian program. Geometric structure, molecular geometry, optimized geometric parameters, energy differences, bond length and bond angle of the complexes were calculated using the DFT method. The spin-orbit coupling parameter of the complexes was theoretically calculated. Magnetic susceptibility analysis was performed using this value. During the study, with the help of the Gaussian Program, we have clearly stated how the Eu+3 complex's magnetic behavior in different geometries can change under the ligand field. While doing this, we have been able to calculate how many different molecular structures behave in different ligands, what happens in various configurations, and many physical properties such as the electric field and electrical dipole moment that result from the interaction of atoms. Theoretical studies with molecules designed by selecting ligands and geometrical parameters that bind to the appropriate metals are nowadays being preferred due to the effective use of computer modeling programs and reducing the time to obtain the desired results. In order for the studies to reach the desired results, it is necessary to understand the physical causes underlying magnetic interactions and evaluate the results obtained from different parameters. Because theoretical studies on molecular magnetism will open the door to experimental studies on this subject and will also contribute to the interpretation and understanding of experimental data. In this context, our "theoretical analysis of the Eu+3 complex in different geometries" using the magnetic behavior calculation methods of the molecules has an extra importance since will be a pioneer in many future studies