STUDY OF FERROMAGNETIC PROPERTIES OF MOLECULAR MAGNETS BASED ON AMINONAPHTHALENESULFONIC ACID AND ANILINE

Our interest is the study of magnetic properties on organic compounds. We have previously reported a new class of molecular magnets based on aminonaphthalenesulfonic acid and aniline. In this work we explore th eoretically a simple model based on superposed aniline molecules and t he goal is to determine the mechanism that stabilizes the parallel ali gnment of the spin component. Calculations were performed within the l ocal density approximation (LDA). The results obtained show a high sen sitivity of the magnetic coupling relative to translations and rotatio ns of one aniline molecule with respect to the other. Distances betwee n both NH units have also a great importance in the spin stabilization . These results are in good accordance with some synthesis difficultie s.