The Nature of the Intramolecular Charge Transfer Excited State in p-Pyrrolocyanobenzene (PBN) and Other Derivatives of Benzene Substituted by Electron Donor and Acceptor Groups

@article{Zilberg2002TheNO,
  title={The Nature of the Intramolecular Charge Transfer Excited State in p-Pyrrolocyanobenzene (PBN) and Other Derivatives of Benzene Substituted by Electron Donor and Acceptor Groups},
  author={Shmuel Zilberg and Yehuda Haas},
  journal={Journal of Physical Chemistry A},
  year={2002},
  volume={106},
  pages={1-11}
}
The title compound is a representative of a family of molecules known to exhibit dual fluorescence in polar solvents. A theoretical analysis of these compounds, in which benzene is substituted by an electron withdrawing group and an electron donating group para to it is offered. The first excited state is derived from the 1Lb state of benzene and is of a covalent nature. Light emission from this state is due to local excitation of the benzene moiety (LE fluorescence). The second excited state… 

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