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A Cl- Hinge for Cyclen Macrocycles: Ionic Interactions and Tweezer-Like Complexes.
Juan Ramón Avilés-Moreno1, Giel Berden2, Jos Oomens2
1Department of Physical, Chemical and Natural Systems, Universidad Pablo de Olavide, Seville, Spain.
Frontiers in Chemistry
|April 11, 2019
Summary
Chloride anions bridge two protonated cyclen macrocycles, forming molecular tweezers. These complexes adopt folded conformations, crucial for nanoscale materials and sensing applications.
Area of Science:
- Supramolecular chemistry
- Materials science
- Chemical physics
Background:
- Polyazamacrocycles and halide anions are key components in modern materials.
- Understanding their complexation is vital for designing new materials.
Purpose of the Study:
- Investigate the conformational framework of protonated cyclen macrocycles complexed with chloride anions.
- Elucidate the role of chloride in forming supramolecular structures.
Main Methods:
- Infrared action spectroscopy
- Ion mobility mass spectrometry
- Quantum chemical computations
Main Results:
- Chloride anions act as hinges, forming molecular tweezer structures with two cyclen hosts.
- Complexes exist in open or folded conformations, with folded structures dominating in the gas phase.
- Two distinct families of folded conformations were identified based on anion position.
Conclusions:
- The conformational flexibility of cyclen-chloride complexes influences their self-assembly.
- These findings have implications for nanoscale network growth and sensing technologies.
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