Abstract

Two new organic dye-sensitized solar cell (DSSC) sensitizers bearing regioisomeric carboxyl-<i>N</i>-methylpyridinium moieties were prepared and fully characterized. Based on TD-DFT calculations, they were anticipated to show a significantly red-shifted absorption spectrum compared to normal carboxypyridines and other regioisomeric pyridinium salts. Although this prediction was met, the two regioisomers unexpectedly showed very different stabilities upon adsorption on TiO<sub>2</sub>.

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