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Magnetic and thermodynamic control of coordination network crystallization using a hexaazaphenalene-based ligand.

Qiao JiangHiroaki SuzukiYuki WadaXiaohan WangYoichi MurakamiTakaya MatsumotoPavel M UsovMasaki Kawano
Published in: Chemical communications (Cambridge, England) (2024)
Assembly of coordination networks from Cd(II) and a multi-interactive hexaazaphenalene-based ligand was successfully modulated using magnetic fields and thermodynamic control. A relatively weak field of only 320 mT was able to perturb the orientational distribution of the ligand in solution nudging the reaction down a different path. The underlying mechanism involved alignment of the ligands along the field lines, which was supported by DFT calculations. This crystallization technique could be extended to the synthesis of other networks and facilitate a deeper exploration of the reaction landscapes.
Keyphrases
  • density functional theory
  • molecularly imprinted
  • molecular dynamics
  • molecular dynamics simulations
  • molecular docking
  • mass spectrometry
  • electron transfer
  • nk cells
  • monte carlo
  • tandem mass spectrometry