Field-Induced Slow Magnetic Relaxation in an Octacoordinated Fe(II) Complex with Pseudo-D2d Symmetry: Magnetic, HF-EPR, and Theoretical Investigations

Guo Ling Li, Shu Qi Wu, Li Fang Zhang, Zhenxing Wang, Zhong Wen Ouyang, Zhong Hai Ni, Sheng Qun Su, Zi Shuo Yao, Jun Qiu Li, Osamu Sato

Research output: Contribution to journalArticlepeer-review

13 Citations (Scopus)


An octacoordinated Fe(II) complex, [FeII(dpphen)2](BF4)2·1.3H2O (1; dpphen = 2,9-bis(pyrazol-1-yl)-1,10-phenanthroline), with a pseudo-D2d-symmetric metal center has been synthesized. Magnetic, high-frequency/-field electron paramagnetic resonance (HF-EPR), and theoretical investigations reveal that 1 is characterized by uniaxial magnetic anisotropy with a negative axial zero-field splitting (ZFS) (D ≈ -6.0 cm-1) and a very small rhombic ZFS (E ≈ 0.04 cm-1). Under applied dc magnetic fields, complex 1 exhibits slow magnetic relaxation at low temperature. Fitting the relaxation time with the Arrhenius mode combining Orbach and tunneling terms affords a good fit to all the data and yields an effective energy barrier (17.0 cm-1) close to the energy gap between the ground state and the first excited state. The origin of the strong uniaxial magnetic anisotropy for 1 has been clearly understood from theoretical calculations. Our study suggests that high-coordinated compounds featuring a D2d-symmetric metal center are promising candidates for mononuclear single-molecule magnets.

Original languageEnglish
Pages (from-to)8018-8025
Number of pages8
JournalInorganic chemistry
Issue number14
Publication statusPublished - Jul 17 2017

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry


Dive into the research topics of 'Field-Induced Slow Magnetic Relaxation in an Octacoordinated Fe(II) Complex with Pseudo-D<sub>2d</sub> Symmetry: Magnetic, HF-EPR, and Theoretical Investigations'. Together they form a unique fingerprint.

Cite this