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A new chromophore, 2,7-diazaindole (2,7-DAI), has been designed to surpass the limitation of 7-azaindole (7AI). It exhibits remarkable water catalyzed proton-transfer properties. Excited-state proton transfer (ESPT) has been investigated based on the time-dependent density functional theory method. The calculated vertical excitation energies in the S0 and S1 states agree well with the experimental...
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