The Mechanism of the Magnetodielectric Response in a Molecule-Based Trinuclear Iron Cluster Material.

Magnetodielectric response mechanisms are critical for the rational design and synthesis of molecule-based magnetodielectric materials. Herein, the magnetodielectric response was investigated in the molecule-based material [Fe3 O(CH3 COO)6 (py)3 ](py) (1). Its magnetodielectric coefficient (MD) is -2.8 % for phase transition III and -4.1 % for phase transition I. Study of the mechanism of the magnetodielectric response in 1 reveals that its magnetodielectric response at phase transition I is induced by the charge-frustration of the trinuclear iron cluster, while that at phase transition III is attributed to the spin-frustration of the trinuclear iron cluster, providing a new route for the design of magnetodielectric materials.