Structural determination of the hexacoordinated [zn(l)2]2+ complex isomer type using solution-state nmr, dft calculations and x-ray crystallography

HIGHLIGHTS

• who: Berislav Periu0107 and collaborators from the Laboratory for Solid State and Complex Compounds Chemistry, Rudu0304er Bou0161kovicu0301 Institute, Bijenicu030cka c, have published the research: Structural Determination of the Hexacoordinated [Zn(L)2]2+ Complex Isomer Type Using Solution-State NMR, DFT Calculations and X-ray Crystallography, in the Journal: Crystals 2023, 16 of 30/Nov/2022
• what: This paper presents a DFT-NMR procedure from which an ensemble of structural models can be obtained and a quality comparison procedure among calculated and solution-state experimental NMR data.
• future: Investigations using calculations of the . . .
  

   

  

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