Ground triplet pyrimidine-4,6-diyl bis(tert-butyl nitroxide) as a paramagnetic building block for metal-organic frameworks

Yuta Homma, Atsushi Okazawa, Takayuki Ishida*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)

Abstract

We synthesized pyrimidine-4,6-diyl bis(tert-butyl nitroxide) (pmbNO), and characterized as a biradical by means of ESR spectroscopy. The zero-field splitting parameters were |D|/hc = 2.52 × 10-2 cm-1 and |E|/hc = 2.34 × 10-3 cm-1 in frozen toluene at 100 K. Magnetic study clarified the presence of intramolecular ferromagnetic coupling with 2J/kB = +18.5(5) K in frozen toluene-ethanol. DFT calculation supports the ground triplet state of pmbNO. The reaction of pmbNO with Cu(hfac)2 gave [Cu3(pmbNO)2(hfac) 4], and the structure was determined by X-ray crystallographic analysis. Though the ligand was reduced to be an anion radical, pmbNO is confirmed to work as a rigid bridge, and the nitroxide oxygen atoms can ligate the metal ions.

Original languageEnglish
Pages (from-to)3120-3123
Number of pages4
JournalTetrahedron Letters
Volume54
Issue number24
DOIs
Publication statusPublished - 2013 Jun 12
Externally publishedYes

Keywords

  • Coordination compound
  • ESR
  • Exchange coupling
  • High-spin molecule
  • Organic free radical

ASJC Scopus subject areas

  • Biochemistry
  • Drug Discovery
  • Organic Chemistry

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