Abstract
We have synthesized novel aromatic amine‐substituted acridine dyes as potential candidates for the photosensitizers in dye sensitized nanocrystalline semiconductor based solar cells (DSSC) cells. The protonation and quaternization of the acridine nitrogen led to acridine dyes with extended absorption from 400–800 nm. Computational modeling was used to evaluate a variety of structures to achieve insights for correlating these types of molecular structures with predicted absorption spectra. Pertinent dihedral angles as well as bond lengths were evaluated to assess and compare planarity and conjugation for these dyes. Other predictions include plots of the HOMO and LUMO levels to qualitatively examine electron distributions and the potential for electron injection. The results from modeling along with the experimental data consisting of synthesis, characterization and UV‐visible absorption properties of the selected dyes are presented. †Dedicated to the memory of Professor Sukant K. Tripathy.
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