Stereocontrolled photoinduced electron transfer in metal-fullerene hybrids

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Photoinduced electron transfer in transition-metal complexes linked to a fullerene moiety is of increasing interest. Recently, several stereoisomers of an Ir-complex exhibiting configurational stability at metal center, which does not undergo epimerization have been synthesized (Angew. Chem. 56, 2136). The presence of multiple electron donor and acceptor sites located at opposite ends with respect to metallic center, creates the prerequisites for the formation of entirely different CT states. Here we report the results of quantum mechanical calculation and detailed analysis of excited-state properties for all stereoisomers of the junction. We found that the stereoisomers demonstrate clearly different charge transfer (CT) properties by photoexcitation. The found photo-stereospecific effects can be used to design new hybrids with different type of photoinduced CT states exhibiting dissimilar activity in photocatalysis ​
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