Naslov
AM1 Semiempirical Study of Supramolecular Bis-porphyrin "Molecular Tweezers"

Autori
Margetić, Davor ; Warrener, Ronald, N.

Izvornik
The tenth electronic computational chemistry conference (ECCC-10), Robert Q. Topper Ed.

Vrsta, podvrsta
Ostale vrste radova, rukopis

Godina
2005

Ključne riječi
supramolecular chemistry; porphyrines; AM1 calculations

Sažetak
In this paper, semiempirical study of a series of space separated bis-porphyrin "molecular tweezers" using AM1 method were presented. It was found that bis-porphyrine systems such as 2 are significantly less rigid than previously thought. Variation of metal-metal separation distance does not cause significant energy change thus enabling these molecules to easily adjust to the optimal bonding distance required for complexation of various pyridyl ligands.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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