Magnetic anisotropy and molecular assembling in d complex cation-f complex anion type coordination compounds

Marilena Ferbinteanu, Fanica Cimpoesu, Takashi Kajiwara, Masahiro Yamashita

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)

Abstract

The system [Fe(bpca)2][Er(NO3)4(H2O)2] (1) (Hbpca = bis(2-pyridil-carbonyl) amine) is a complex cation-complex anion type coordination compound consisting of distinct d and f units, interlinked by hydrogen bonds. Particularly, the association of f-type complex anions in dimers is remarked and discussed. The energy decomposition analyses based on DFT calculations offered supplementary insight into the coordination effects at the lanthanide ions and the hydrogen bond driven supramolecular association of the complex units. Special ab initio procedures and subsequent modeling afforded the computation of anisotropic magnetization tensors of the [Er(NO3)4(H2O)2]- f-type units. The computed results are in line with the experimental data for compound 1.

Original languageEnglish
Pages (from-to)760-765
Number of pages6
JournalSolid State Sciences
Volume11
Issue number4
DOIs
Publication statusPublished - 2009 Apr

Keywords

  • Ab initio calculations
  • Chemical bonding
  • Donor-acceptor perturbation
  • Lanthanide complexes
  • Magnetic anisotropy
  • Supramolecular assembling
  • d and f complexes

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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