Novel Linear Trinuclear CuII Compound with Trapped Chiral Hemiaminal Ligand: Magnetostructural Study

Carlos Cruz, Nathalie Audebrand, Dayán Páez-Hernández, Verónica Paredes-García

Research output: Contribution to journalArticlepeer-review

Abstract

A new trinuclear CuII compound {[Cu3(HL′)2(H2O)2](ClO4)4}·(H2O)4 (1) was obtained and presented a trapped chiral hemiaminal (HL2′ = [(5-amino-4H-1,2,4-triazol-3-yl)amino](1H-imidazol-4-yl)methanol)). Compound 1 shows an almost flat cationic structure [Cu3(HL′)2(H2O)2]4+ with a Cu3 linear core reached by the double Cu-OR/NN-Cu triazole/alkoxo bridge of the hemiaminal molecule. The CuII spin carriers are antiferromagnetically coupled, presenting a spin doublet ground state (S = 1/2) with a magnetic coupling constant of −179 cm−1. Moreover, DTF calculations show that the planarity of the compound permits a sigma-type overlapping between the unpaired electrons of the spin carriers and the p-type orbitals of the coordinated N and O atoms producing an electronic delocalization through the bridging ligand responsible for the strong antiferromagnetic interactions observed experimentally.

Original languageEnglish
Article number175
JournalMagnetochemistry
Volume9
Issue number7
DOIs
Publication statusPublished - Jul 2023

Keywords

  • coordination compound
  • copper
  • hemiaminal
  • molecular magnetism

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Chemistry (miscellaneous)
  • Materials Chemistry

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