Executive Summary : | The proposed work aims to develop and synthesize multifunctional 1D, 2D/3D metallosupramolecular architectures with co-existent magnetic bistability and high conductivity at ambient temperature. The synthesis strategy involves using redox-active ligands and linkers and studying post-synthetically modified analogues (electrochemical modulation). The project is divided into five sections. The first section focuses on rational design, synthesizing, and characterizing redox-active ligands and linkers to build 1D, 2D/3D metallosupramolecular assemblies. The second part involves post-synthetic modifications using electrochemical modifications and pressure variation. Electrochemical modifications generate radicals on bridging ligand centers and linkers, leading to strong magnetic exchange interactions between metal centers. The third section investigates the photophysical properties of all proposed ligands and metallosupramolecular networks to understand conductivity and magnetic properties and the effect of external stimuli on the alternation of physical properties. The fourth part involves detailed quantum chemical investigation of the synthesized metallosupramolecular systems, including quantum chemical calculation of exchange coupling, electrostatic potential mapping, electronic band structure, density of states calculations, and parameter tuning. The final goal is to use synthesized homo- and heterometallic 2D/3D metallosupramolecular systems or electrochemically modified systems onto chemically exfoliated 2D heterostructures to prepare hybrid heterostructure materials for potential applications. Detailed structural elucidations under external pressure, magnetic, conductivity, and electrical transport measurements will be performed for these synthesized hybrid heterostructures. This will open a new field of multifunctional materials originating from switchable molecular systems for the application in electronics. |