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Molecular Modeling and Synthesis of Novel Bis-porphyrin-Fullerene Supramolecular Complex Designed for Photovoltaic Devices

Donor-acceptor interactions within fullerene-porphyrin architectures are important for multi-component model systems designed for transmission and process of solar energy. Most of these supramolecular photocurrent-generating devices are based on covalently linked components using fullerenes and porphyrins. The alternative approach is the use of self-assembled supramolecular donor-acceptor (D-A) model systems obtained by metal complexation. . , Here we report computational study of a novel bis-porphyrin-fullerene supramolecular complex 1@C60add designed for photovoltaic devices using quantum-chemical calculations. The study of the electronic properties of the excited states of 1@C60add complex indicates electron transfer from porphyrin to fullerene moiety. In continuation, porphyrin-fullerene supramolecular system 1@C60add was synthetized by self-assembly of bisporphyrin component 1 and C60add and its photophysical properties studied, showing large fluorescence quenching by fullerene moiety.

porphyrin; cycloaddition; host-guest

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