| Title: |
Transverse Square Toroidal Vortices with Giant Ferrotoroidic Coupling in Dy‐Bridged Single‐Molecule Toroics |
| Authors: |
Licitra, Matteo; Dutta, Imon J.; Hymas, Kieran; Batten, Stuart R.; Murray, Keith S.; Rajaraman, Gopalan; Langley, Stuart K.; Vignesh, Kuduva R.; Soncini, Alessandro |
| Publisher Information: |
Wiley |
| Publication Year: |
2026 |
| Collection: |
eSpace - Manchester Metropolitan University's Research Repository |
| Description: |
Toroidal moments in single-molecular toroics (SMTs) are promising degrees of freedom for next-generation qubits that are protected from weak, short-range magnetic interactions, with immediate application to quantum computation, molecular spintronics and information storage. While the intramolecular entanglement of toroidal moments has been achieved by bridging triangular Dymathematical equation SMT moieties with mathematical equation ions, an analogous coupling via mathematical equation ions has been only partially explored. Here, we utilise a joint computational and theoretical approach to study two previously synthesised heterometallic complexes, Cumathematical equationDymathematical equation and Cumathematical equationDymathematical equation, comprised of two and four triangular Dymathematical equation magnetic subunits, respectively, bridged by trivalent dysprosium ions. Using multiconfigurational ab initio calculations in conjunction with a microscopic model, we reproduce the experimentally observed magnetic responses and determine the ground and excited state spin textures of each molecule. Unlike the MLnmathematical equation systems studied previously in the literature, the maximal toroidal moments in Cumathematical equationDymathematical equation are hosted by high-lying excited states and are delocalised across both SMT moieties, forming a planar, quadrilateral magnetic vortex configuration perpendicular to the triangles’ pseudo-Cmathematical equation symmetry axis. These unconventional excited states also exist in the larger complex, Cumathematical equationDymathematical equation and strongly couple in ferrotoroidic and antiferrotoroidic configurations with coupling constants of unprecedented magnitude. Graphical Abstract Single-molecular toroics (SMTs) offer protected magnetic states for next-generation quantum technologies. Ab initio and model analyses of Cu2Dy7 and Cu4Dy12 reveal unconventional excited states featuring delocalised toroidal moments that couple into strong ferro- and antiferrotoroidic ... |
| Document Type: |
article in journal/newspaper |
| File Description: |
text |
| Language: |
English |
| Relation: |
https://e-space.mmu.ac.uk/643924/; https://doi.org/10.1002/ejic.202500548 |
| Availability: |
https://e-space.mmu.ac.uk/643924/1/ejic.202500548.pdf |
| Rights: |
cc_by_4 ; info:eu-repo/semantics/openAccess |
| Accession Number: |
edsbas.85A02C8B |
| Database: |
BASE |