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Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
Published on: December 16, 2013
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Solution structure and structural rearrangement in chiral dimeric ytterbium(iii) complexes determined by paramagnetic
Moreno Lelli1, Lorenzo Di Bari
1Department of Chemistry "Ugo Schiff", University of Florence, Via della Lastruccia 3, 50019 Sesto Fiorentino (FI), Italy. moreno.lelli@unifi.it.
Dalton Transactions (Cambridge, England : 2003)
|December 13, 2018
Summary
This study reveals how a chiral ytterbium complex dimerizes in solution, undergoing a structural rearrangement. This finding is crucial for understanding its applications in enantioselective catalysis and MRI contrast agents.
Area of Science:
- Coordination chemistry
- Lanthanide complexes
- Chiral chemistry
Background:
- Chiral lanthanide complexes are valuable in enantioselective catalysis and possess unique optical/magnetic properties.
- The specific ytterbium complex [Yb((S)-THP)] is utilized in catalysis and as a CEST agent in MRI.
Purpose of the Study:
- To investigate the behavior of the chiral ytterbium complex [Yb((S)-THP)] in various solvents.
- To elucidate the structural changes and dimerization process of the complex in solution.
Main Methods:
- Near-infrared circular dichroism (NIR CD)
- Nuclear Magnetic Resonance (NMR) spectroscopy
- Mass spectrometry
Main Results:
- The ytterbium complex does not exhibit axial solvent coordination, unlike early lanthanide analogues.
- In non-protic solvents with bases, the complex dimerizes to [Yb((S)-H2THP)]22+.
- NMR analysis revealed a structural rearrangement of the coordination cage upon dimerization.
Conclusions:
- The dimerization of [Yb((S)-THP)] involves significant structural changes in its coordination sphere.
- Understanding these solution-phase dynamics is key for optimizing its catalytic and MRI applications.
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