engleski

Molecular design and host-guest complexation properties of supramolecular bis-porphyrin “ molecular tweezers“

An AM1 computational study of a series of space separated bis-porphyrin “ molecular tweezers” 1 aimed for the preparation of light-harvesting devices has been conducted. It was found that bis-porphyrin systems possessing polycyclic spacers are significantly less rigid than previously thought.[3, 4] Variation of the metal-metal separation distance does not cause a significant energy change thus enabling these molecules to easily adjust to the optimal bonding distance required for complexation of various pyridyl ligands. Binding energies for a series of guests were estimated and indicated that the preferred complexation occurs within the cavity of these molecular tweezers (selective binding). With a help of molecular design, bis-porphyrin, having a more flexible framework incorporating two “ molecular hinges” was synthetised. Its complexation with several bis-pyridyl guests was studied by NMR and UV spectroscopy

supramolecular chemistry

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