Synthesis and magnetic characterization of a cubane-type Mn4 cluster, housed in a sterically hindered carboxylate ligand pocket

The use of sterically hindered terphenyl-based carboxylate, −O2CAr4F-Ph, in manganese (II) chemistry has yielded a new cubane-type Mn4 cluster, in which four Mn(II) sites have slightly distorted octahedral geometries with a distinctive O6 donor atom sets. Based on the total energy calculations for magnetic states of the cluster using the LDA + U method, two kinds of magnetic exchange coupling interactions between Mn(II) sites are chosen to fit the measured magnetic properties, resulting in weak intra-molecular antiferromagnetic interactions (J = −1.91 K, J′ = −3.07 K, and g = 2.00).

The new cubane-type Mn4 complex with the distinct oxygen rich coordination environment displays two kinds of intra-molecular antiferromagnetic exchange coupling interactions between Mn(II) sites (J = −1.91 K, J′ = −3.07 K, and g = 2.00).Figure optionsDownload as PowerPoint slide