A Dy4 Cubane: A New Member in the Single‐Molecule Toroics Family. Issue 52 (27th November 2018)

• Record Type: Journal Article
• Authors: Fernandez Garcia, Guglielmo; Guettas, Djamila; Montigaud, Vincent; Larini, Paolo; Sessoli, Roberta; Totti, Federico; Cador, Olivier; Pilet, Guillaume; Le Guennic, Boris
• Is Part Of: Angewandte Chemie international edition. Volume 57:Issue 52(2018)
• Page Start: 17089
• Page End: 17093
• Publication Date: 2018-11-27
• Subjects: cubanes -- dysprosium -- lanthanides -- magnetic properties -- single molecule toroics; Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.201810156
• Languages: English
• ISSNs: 1433-7851

Abstract

Abstract: Molecular materials that possess a toroidal moment associated to a non‐magnetic ground state are known as single‐molecule toroics (SMTs) and are usually planar molecules. Herein, we report a Dy4 cubane, namely [Dy4 (Bppd)4 (μ3 ‐OH)4 (Pa)4 (H2 O)4 ]⋅0.333 H2 O (where BppdH=1, 3‐Bis(pyridin‐4‐yl)propane‐1, 3‐dione and PaH=2‐Picolinic acid) for which magnetometry measurements and state‐of‐art ab initio calculations highlight SMT behavior in a tridimensional structure (3D‐SMT). The in‐depth theoretical analysis on the resulting low‐lying energy states, along with their variation in function of the magnetic exchange pathways, allows further light to be shed on the description of single‐molecule toroics and identify the coupling scheme that better reproduces the observed data. Abstract : 3D magnetic toroics : Molecular materials that have a toroidal moment associated to a non‐magnetic ground state are known as single‐molecule toroics (SMTs) and are usually planar molecules. Such a toroidal moment is observed in a Dy4 cubane, transposing this property to a tridimensional structure (3D‐SMT).