Design Strategies for Single-Molecule Toroics in Lanthanofullerene Systems

Abstract

Single-molecule toroids (SMTs) present unique advantages over other classes of molecular magnets for proposed applications. However, stabilising toroidal moments in molecular systems remains a significant challenge. In this study, we demonstrate that by encapsulating a {Dy₃} motif within a series of fullerene cages ranging from C₉₄ to C₁₀₀, it is possible to achieve stable SMT behaviour. This work establishes fullerene-encapsulated SMTs as promising, device-ready molecular candidates for future technological applications.