Magnetic Properties of a Single-Molecule Lanthanide-Transition-Metal Compound Containing 52 Gadolinium and 56 Nickel Atoms

Monodisperse metal clusters provide a unique platform for investigating magnetic exchange within molecular magnets. Herein, the core–shell structure of the monodisperse molecule magnet of [Gd52Ni56(IDA)48(OH)154(H2O)38]@SiO2 (1 a@SiO2) was prepared by encapsulating one high‐nuclearity lanthanide–transition‐metal compound of [Gd52Ni56(IDA)48(OH)154(H2O)38]⋅(NO3)18⋅164 H2O (1) (IDA=iminodiacetate) into one silica nanosphere through a facile one‐pot microemulsion method. 1 a@SiO2 was characterized using transmission electron microscopy, N2 adsorption–desorption isotherms, and inductively coupled plasma‐atomic emission spectrometry. Magnetic investigation of 1 and 1 a revealed J1=0.25 cm−1, J2=−0.060 cm−1, J3=−0.22 cm−1, J4=−8.63 cm−1, g=1.95, and z J=−2.0×10−3 cm−1 for 1, and J1=0.26 cm−1, J2=−0.065 cm−1, J3=−0.23 cm−1, J4=−8.40 cm−1 g=1.99, and z J=0.000 cm−1 for 1 a@SiO2. The z J=0 in 1 a@SiO2 suggests that weak antiferromagnetic coupling between the compounds is shielded by silica nanospheres. Molecular magnet: A single‐molecule metal compound of 1 a encapsulated in a silica nanosphere (1 a=[Gd52Ni56(IDA)48(OH)154(H2O)38]18+) was prepared through a facile one‐pot microemulsion method (see picture). The single‐molecule high‐nuclearity lanthanide–transition‐metal compound showed experimentally and theoretically magnetic interactions.