Executive Summary : | This project focuses on understanding the magnetic relaxation and increasing magnetic anisotropy of Single-Ion Magnets (SIMs) in low-coordinate first-row transition metal (3d) complexes and pseudo-linear Ln (III) complexes, which are potential applications in information storage and Spintronics devices. The research aims to exploit the magnetic anisotropy of these complexes to operate slow paramagnetic relaxation with higher blocking temperatures. The research explores two main topics: enforcing rigid geometries in mononuclear complexes and merging state-of-the-art theory with experiments for designing new SIMs. The project will use two methodologies: starting with state-of-the-art computational calculations and then observing how the experiment aligns with these calculations. The promising candidates will be synthesized in the lab at room temperature or under air-free conditions to validate their magnetic properties using structural and SQUID magnetic measurement techniques. The second method involves synthesizing a group of target molecules, observing their physical properties, and conducting theoretical calculations. A strong feedback loop will allow for fine-tuning the anisotropic parameters based on the computation, allowing for increased SIM blocking temperatures. The project covers innovative aspects of a relatively new field and if successful, will open the way to exploit the promising potential of these materials. The combined synthetic and computational approach can provide significant added value for India's research portfolio and lead to the development of new generation molecular magnetic materials with potential applications in information storage and Spintronics devices. |