Synthesis, magnetism and quantum Monte Carlo studies of two Cu(II)-based ferromagnetic coordination polymers

Abstract Two Cu(II)-based coordination polymers, {Cu(CMBA)(H 2 O)} n ( 1 ) and {Cu(CMBA)(4, 4′-bpy) 0.5 (H 2 O)} n ( 2 ) (H 2 CMBA = 2-(Carboxymethyl-amino)-3-methyl-butyric acid, 4, 4′-bpy = 4, 4′-bipyridine), were obtained under microwave irradiation. Magnetic property measurements indicate that both of them feature ferromagnetic characteristic. Furthermore, quantum Monte Carlo studies respectively reveal that the coupling parameters between the adjacent Cu(II) ions are 8.20 cm − 1 for 1 and 3.60 cm − 1 for 2 , respectively. Moreover, it is found that 4, 4′-bpy ligand serves as a weak antiferromagnetic propagation pathway with − 0.36 cm − 1 between two adjacent Cu(II) chains in 2 , resulting in the differences of magnetization between 1 and 2 .