Regulating the magnetic dynamics of mononuclear β-diketone Dy(<scp>iii</scp>) single-molecule magnets through the substitution effect on capping N-donor coligands
Jing Xi, Xiufang Ma, Peipei Cen, Yuewei Wu, Yi‐Quan Zhang, Yan Guo, Jinhui Yang, Lei Chen, Xiangyu Liu
Abstract
) of 104.19 K (1), 122.93 K (2), 84.20 K (3), 64.16 K (4) and 80.23 K (5) under zero applied dc field. The potential QTM effects in the title complexes are successfully suppressed in the presence of the extra applied fields. The crystal field parameters and orientations of the magnetic easy axes were obtained from the simulation of the magnetic data and the electrostatic model calculation. The distinct electronic effects originating from the subtle changes of the substituents on the capping N-donor coligands induce varying coordination microenvironments and geometries on the Dy(iii) sites, further drastically impacting the overall magnetic properties of the title complexes. The disparities of the uniaxial anisotropy and the magnetic dynamics for 1-5 have been elucidated by ab initio calculations as well.