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

نویسندگان

  • Kang Qian
  • José J Baldoví
  • Shang-Da Jiang
  • Alejandro Gaita-Ariño
  • Yi-Quan Zhang
  • Jacob Overgaard
  • Bing-Wu Wang
  • Eugenio Coronado
  • Song Gao
چکیده

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.

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Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?† †Electronic supplementary information (ESI) available. CCDC 1045631–1045633. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc01245g

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عنوان ژورنال:
  • Chemical science

دوره 6 8  شماره 

صفحات  -

تاریخ انتشار 2015