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      Solvent Effects on 3-Keto-1H-pyrido[3,2,1-kl]phenothiazine Fluorescence in Polar and Protic Solvents

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      The Journal of Physical Chemistry B

      American Chemical Society (ACS)

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          Abstract

          Solvent effects on 3-keto-1H-pyrido[3,2,1-kl]phenothiazine (PTZ-5) fluorescence in aprotic and protic solvents were investigated using the time-dependent density functional theory method. Enhancement of PTZ-5 fluorescence in the polar aprotic solvent is caused by the decoupling of the two proximity low-lying excited singlet states. In polar protic solvents, aside from the solvent polarity effects, hydrogen-bonding effects are significant to the enhancement of fluorescence. Hydrogen bonds confine C-H out-of-plane bending and severely decouple the two low-lying excited singlet states, greatly decreasing nonradiative decay. The excited state intermolecular proton transfer model is considered a quenching reaction for excited PTZ-5; however, it is uncompetitive in excited-state dynamics.

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          Author and article information

          Journal
          The Journal of Physical Chemistry B
          J. Phys. Chem. B
          American Chemical Society (ACS)
          1520-6106
          1520-5207
          September 15 2011
          September 15 2011
          : 115
          : 36
          : 10692-10698
          Article
          10.1021/jp2044288
          21806025
          © 2011
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