Synthesis and complexes of a constrained-cavity Schiff-base dipyrrin macrocycle.

Published in: Dalton transactions (Cambridge, England : 2003) (2021)

A new constrained-cavity [1 + 1] Schiff-base dipyrrin macrocycle comprising an N4 donor-pocket has been synthesised by spontaneous oxidation and in situ crystallisation. Access to Fe(ii) and Zn(ii) complexes is achieved by salt elimination reactions of the lithium salt. All compounds have been characterised by NMR and UV-vis spectroscopy, X-ray crystallography, and DFT analysis.

Keyphrases

high resolution
solid state
magnetic resonance
density functional theory
hydrogen peroxide
heavy metals
molecular docking
single molecule
risk assessment
visible light
molecular dynamics
crystal structure