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The crucial role of hydrogen bonding in shaping the structures of zinc-based coordination polymers using tridentate N, N, O donor reduced Schiff base ligands and bridging acetates.

Puspendu MiddyaAntonio FronteraShouvik Chattopadhyay
Published in: RSC advances (2024)
In this manuscript we report the synthesis and characterization of two new polynuclear zinc(ii) complexes, [Zn 2 L 1 (μ-OAc) 3 ] n ·H 2 O (1) and [Zn 2 L 2 (μ-OAc) 3 ] n (2) using two tridentate ligands, HL 1 {4-chloro-2-(((2-(methylamino)ethyl)amino)methyl)phenol} and HL 2 {2,4-dibromo-6-(((3-(methylamino)propyl)amino)methyl)phenol}. The structures were confirmed by single-crystal X-ray diffraction analysis. Both complexes form 1D chains. The energy of H-bonding interaction in the solid state structures of the complexes has been estimated by DFT calculation and the crucial role of hydrogen bonding in shaping their structures has been highlighted.
Keyphrases
  • high resolution
  • solid state
  • heavy metals
  • oxide nanoparticles
  • magnetic resonance imaging
  • molecular docking
  • magnetic resonance
  • crystal structure
  • molecular dynamics
  • data analysis