Denis V. Chachkov, Oleg V. Mikhailov

Coordination compounds with subporphyrazine may exist: DFT quantum chemical prediction for M(ii) complexes with a given macrocyclic ligand (M = Ti–Zn)

  • Materials Chemistry
  • General Chemistry
  • Catalysis

The existence of macrotricyclic complexes containing M(ii) ion (M = Ti–Zn) and double deprotonated form of subporphyrazine that is unknown for these 3d-elements, was shown by quantum-chemical calculation using three various DFT methods.

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