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The three fluorescent dyes demonstrated appreciable singlet-oxygen (1O2) sensitivity when photoirradiated with methylene blue (M in solution, showing a substantial blue-shift in emission in a ratiometric manner. Further, the treatment of dye-MB solution with α-tocopherol (1O2 scavenger) validated the presence of 1O2 as the only oxidizing species generated by MB in solution. Computational investigations gave insight into the twisting of donor moieties in their ground-state optimized geometries, the modulation of the FMO energy gap, and
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