N-Heteroatom Engineered Nonporous Amorphous Self-Assembled Coordination Cages for Capture and Storage of Iodine

Radioactive iodine isotopes from nuclear-related activities, present substantial risks to human health and the environment. Developing effective materials for the capture and storage of these hazardous molecules is paramount. Traditionally, nonporous solids were historically considered ineffective for adsorbing target species. In this study, we investigate the potential of four nonporous, amorphous, self-assembled coordination cages (C1, C2, C3, and C4) featuring varying numbers of nitrogen atoms within the core (pyridyl/triazine unit) and specific cavity sizes for iodine adsorption. These coordination cages demonstrate remarkable adsorption abilities for iodine in both vapor and solution phases, facilitated by enhanced electron-pair interactions. The cages exhibit high uptake capacities of up to 3.16 g g^-1 at 75 °C, the highest among metal-organic cages and up to 434.29 mg g^-1 in solution, highlighting the efficiency of these materials across different phases. Even at ambient temperature, they show significant iodine capture efficiency, with a maximum value of 1.5 g g^-1. Furthermore, these robust materials can be recycled, enduring at least five reusable cycles without apparent fatigue. Overall, our findings present a "N-heteroatom engineering" approach for the development of recyclable amorphous containers for the capture and storage of iodine, contributing to the mitigation of nuclear-related risks.