Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?†
Kang Qian,José J. Baldoví,Alejandro Gaita-Ariño,Jacob Overgaard,Bing-Wu Wang,Eugenio Coronado,Song Gao
Chemical Science Pub Date : 05/13/2015 00:00:00 , DOI:10.1039/C5SC01245G
Abstract

A dysprosium based single-ion magnet is synthesized and characterized by the angular dependence of the single-crystal magnetic susceptibility. Ab initio and effective electrostatic analyses are performed using the molecular structures determined from single crystal X-ray diffraction at 20 K, 100 K and 300 K. Contrary to the common assumption, the results reveal that the structural thermal effects that may affect the energy level scheme and magnetic anisotropy below 100 K are negligible.

Graphical abstract: Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?