Non-covalent interactions in thiosemicarbazone coordination chemistry: From crystal engineering to functional materials

The different functional portions present in the thiosemicarbazone (TSC) scaffold allow for a variety of non-covalent interactions while maintaining considerable conformational flexibility. This review gives an overview of how these weak interactions represent leading factors influencing the self-assembly and crystal packing behaviour of TSC-metal complexes, hence acting as building blocks for crystal engineering, leading to tailored 1D, 2D, and 3D architectures. Moreover, these systems represent a highly versatile class of compounds where non-covalent interactions also play a pivotal role in assessing their functions and the ensuing employment in diverse applications. In this context, we present a comprehensive survey concerning the use of TSC-metal complexes in catalysis, sensing, materials science, and environmental applications. Computational methodologies are presented as complementary tools to elucidate the nature and impact of these non-covalent forces. Overall, TSCs and their metal complexes represent a rich platform for designing advanced functional materials with precisely tunable properties through the strategic exploitation of non-covalent interactions. • Weak interactions in thiosemicarbazone–metal complexes (TSCMs) are reviewed. • Weak interactions affect self-assembly and crystal packing in TSCMs. • TSCMs-metal complexes are a rich platform for designing advanced functional materials. • Design of advanced functional materials in TSCMs is tailored by weak interactions.