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Updated: May 20, 2026

Modeling Ligands into Maps Derived from Electron Cryomicroscopy
Published on: July 19, 2024
Tuning the size of supramolecular M4L4 tetrahedra by ligand connectivity
Markus Albrecht1, Yuli Shang, Kensuke Hasui
1Institut für Organische Chemie, Landoltweg 1, 52074, Aachen, Germany. markus.albrecht@oc.rwth-aachen.de
Abstract:
Triangular triscatechol ligands are prepared in facile reaction sequences. The catechol units are either bound to the triangular backbone through their 3- or 4-position. With titanium(IV) ions, the ligands form metallosupramolecular M(4)L(4) tetrahedra which are characterized by ESI MS and proton NMR. Quantum-chemical calculations reveal that connectivity at the catechol in the 3-position results in highly condensed structures while attachment in the 4-position affords container molecules providing huge internal cavities.
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