Naslov
MOLECULAR DESIGN AND HOST-GUEST COMPLEXATION PROPERTIES OF SUPRAMOLECULAR BIS-PORPHYRIN "MOLECULAR TWEEZERS"

Autori
Margetić, Davor ; Warrener, Ronald, N. ; Officer, David ; Butler, Douglas, N. ; Dong, Zemin ; Merican, Zul ; Hesheng, Tang ; Gunter, Maxwell, J.

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
3rd IUPAC-sponsored International Symposium on Macro- and Supramolecular Architectures and Materials (MAM-06): Practical Nano-Chemistry and Novel Approaches / - Tokyo, 2006

Skup
3rd IUPAC-sponsored International Symposium on Macro- and Supramolecular Architectures and Materials (MAM-06): Practical Nano-Chemistry and Novel Approaches

Mjesto i datum
Tokyo, Japan, 28.05.2006. - 01.06.2006

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Nije recenziran

Ključne riječi
host-guest; porphyrins; norbornenes

Sažetak
A computational study of a series of space separated bis-porphyrin “ molecular tweezers” 1 using the AM1 method has been conducted (Figure 1).[1, 2] 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 1, 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.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA