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

Autori
Margetić, Davor ; Officer, David ; Gunter, Maxwell J. ; Warrener, Ronald N.

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

Izvornik
Book of abstracts, The Eleventh International Kyoto Conference on New Aspects of Organic Chemistry / - Kyoto, 2009

Skup
The Eleventh International Kyoto Conference on New Aspects of Organic Chemistry

Mjesto i datum
Kyoto, Japan, 09.11.2009. - 13.11.2009

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
porphyrin; cycloaddition; host-guest

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA