Template synthesis, crystal and electronic structure of trinuclear Co(II) complex based on new 15-dentate macrocyclic Schiff base ligand

Abstract

The new 15-dentate macrocyclic Schiff base ligand, derived from 2,6-diacetylpyridine and malonic acid dihydrazide, was synthesized using a template condensation approach. The deprotonation-protonation behaviour of this polydentate macrocyclic Schiff base in Co(II) coordination compounds was investigated and exploited as a strategy for the assembly of a novel trinuclear macrocyclic complex. The chemical composition and crystal structure of the resulting complex [Co₃(H₆L)(H₂O)₆](ClO₄)₆ · 8H₂O were elucidated by single-crystal X-ray diffraction, infrared spectroscopy, and elemental analysis. The TB2J python package and SIESTA code were used to analyse the magnetic exchange interactions in trinuclear macrocyclic Co(II) complex in the crystal.