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

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.

supramolecular chemistry; porphyrines; AM1 calculations

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