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Si us plau utilitzeu sempre aquest identificador per citar o enllaçar aquest document: https://hdl.handle.net/2445/231180
Design and synthesis of supramolecular multifunctional switchable materials
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Spin-crossover (SCO) compounds are a versatile class of switchable magnetic materials with strong potential for next-generation technological applications, as their properties can be finely tuned through subtle modifications of intermolecular interactions. Weak non-covalent forces (especially hydrogen bonding) play a crucial role in dictating supramolecular organization and, consequently, magnetic behavior. Building on this concept, recent strategies have focused on integrating SCO-active metal centers into supramolecular architectures to achieve enhanced control over structure-property relationships and to develop multifunctional materials.
In this context, we report the design and synthesis of a tailored ligand incorporating a pyrazolylpyridyl chelating unit alongside hydrogen-bond donor and acceptor functionalities, enabling the formation of Fe(II)-based SCO systems with rich supramolecular behavior. These ligands were employed to construct a tetrahedral host supramolecular cage composed of four Fe(II) SCO centers, capable of encapsulating tetrahalometallate anions (MX₄²⁻, M = Mn, Cu, Co, Zn; X = Cl, Br). The ligand, synthesized via a two-step Claisen condensation and cyclization route, was selected to promote both Fe-N coordination and intermolecular hydrogen bonding. The guest anions act as supramolecular templates, directing hydrogen-bond networks between ligands across different metal centers while contributing to charge balance within the assembly. Optimized layered crystallization conditions enabled the growth of high-quality single crystals, and X-ray diffraction studies at 100 K confirmed the formation of isostructural cages with Fe-N bond lengths consistent with a low-spin state in all Fe(II) centers.
Beyond structural characterization, current work explores how encapsulation influences guest-specific properties, including photoluminescence in Mn-based systems, quantum coherence in Cu analogues, and single-molecule magnet behavior in Co derivatives. These results highlight the effectiveness of combining SCO activity with host-guest chemistry to generate multifunctional materials, where cooperative magnetic switching and guest-dependent physicochemical properties are synergistically modulated through adaptable supramolecular interactions
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Màster en Química de Materials Aplicada, Facultat de Química. Curs: 2025-2026. Tutor: D. Aguilà, R. Díaz-Torres
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TANYÀ ROVIRA, Sergi. Design and synthesis of supramolecular multifunctional switchable materials. [consulted: 10 of November of 2026]. Available at: https://hdl.handle.net/2445/231180