NMR spectroscopy, ligand's influence

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SUMMARY

This discussion focuses on the influence of ligands on metal NMR shifts in palladium (Pd) complexes. Specifically, it examines how the geometry of ligands, such as cis and trans configurations, affects chemical shifts in DMF solvent. The analysis reveals that for cyclic amines like cyclopropyl-cyclohexyl, trans compounds exhibit more shielding, while for NH3, MeNH2, and adamantylamine ligands, trans complexes are more deshielded, with the largest difference observed in adamantylamine. The inquiry seeks to understand the underlying reasons for these variations in NMR shifts.

PREREQUISITES
  • Understanding of NMR spectroscopy principles
  • Knowledge of ligand field theory
  • Familiarity with palladium coordination chemistry
  • Experience with chemical shift analysis in DMF solvent
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  • Research the effects of ligand geometry on NMR chemical shifts
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Chemists, particularly those specializing in coordination chemistry, NMR spectroscopy researchers, and anyone studying the electronic effects of ligands on metal complexes.

KarolinaPL
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Hi,

i have been wondering about the influence of the ligands on metal NMR shifts, for complexes with metal like Pd, the ligands are 2 amine ligands, and they have also two chlorides in structure, cis or trans geometry. In DMF, when comparing the difference between the chemical shifts of the same complexes (the same ligands) but with different geometry, for cyclic amines like cyclopropyl-cyclohexyl, is small, and trans-compounds signal are more shielded. The opposite situation is for ths type of coplex with NH3, MeNH2 or Adamantylamine ligands, trans more deshielded than cis, and the difference between cis and trans is biggest for adamantylamine compounds, while for rest is veeery small. What can be the reason?
Greetings.
 
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What is a ths type of complex? What electronic configuration/ charge you are talking about (d8)?