On the origin of magnetic anisotropy in cyanide-bridged Co(9)M(6) (M = Mo(V) or W(V)) systems: a DFT study.
Our calculations show that the substitution of metal ions using Co(II) is not the main reason that Co(II)(9)M(6) (M = Mo(V) or W(V)) exhibits single-molecule-magnet behavior, whereas the unsymmetrical distribution of three CH(3)OH ligands surrounding each Co(II) is the main one.
Zhang
Yi-Quan
YQ
School of Physical Science and Technology, Nanjing Normal University, Nanjing 210046, China. zhangyiquan@njnu.edu.cn
Luo
Cheng-Lin
CL