Structural characterization of macrocycles built from clip-off chemistry

This project aims to deepen the structural understanding of organic macrocycles synthesized through Clip-off Chemistry—a novel strategy introduced by our group for constructing complex molecules via selective bond cleavage in reticular materials. Building on recent advances, we propose to apply this approach to Covalent Organic Frameworks (COFs), which act as ordered reservoirs of complex molecular architectures. Specifically, we will use synchrotron-based single-crystal X-ray diffraction (SCXRD) at ALBA's XALOC and XAIRA beamlines to monitor the formation of macrocycles excised from COFs. This will enable detailed structural characterization of both the COF precursors and the resulting macrocycles, including in situ studies of the clipping reaction. The project leverages the high-resolution capabilities and specialized environment of these beamlines to overcome limitations posed by the porosity, fragility, and size of the crystals, ensuring a significant contribution to the development of new synthetic routes in organic chemistry.