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

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.

SUBMITTER: Qian K

PROVIDER: S-EPMC5851079 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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

Qian Kang K Baldoví José J JJ Jiang Shang-Da SD Gaita-Ariño Alejandro A Zhang Yi-Quan YQ Overgaard Jacob J Wang Bing-Wu BW Coronado Eugenio E Gao Song S

Chemical science 20150513 8

A dysprosium based single-ion magnet is synthesized and characterized by the angular dependence of the single-crystal magnetic susceptibility. <i>Ab initio</i> 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. ...[more]

PMID: 29568416

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