Naslov
High pressure synthesis of 7-silanorbornenes and Molecular design and complexation properties of supramolecular bis-porphyrin ''molecular tweezers''

Autori
Margetić, Davor ; Dong, Zhang ; Merican, Zul ; Officer, David ; Hesheng, Tom ; Warrener, Ronald N. ; Butler, Douglas N. ; Gunter, Max J.

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

Izvornik
Halpern Symposium, Book of abstracts / - Wollongong, 2006

Skup
Halpern Symposium

Mjesto i datum
Wollongong, Australija, 28.11.2005. - 30.11.2005

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
host-guest chemistry; supramolecular chemistry; porphyrins; norbornenes

Sažetak
A computational study of a series of space separated bis-porphyrin “ molecular tweezers” using the AM1 method has been conducted. It was found that bis-porphyrin systems possessing polycyclic spacers are significantly less rigid than previously thought. 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). By molecular design, bis-porphyrin 1, having a more flexible framework incorporating two “ molecular hinges” was synthetised. Its complexation with bis-pyridyl guests was studied by NMR and UV spectroscopy.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA