Spectroscopic characterization and theoretical simulation of 1,4-diallylquinoxaline-2,3-dione self dimer.

  title={Spectroscopic characterization and theoretical simulation of 1,4-diallylquinoxaline-2,3-dione self dimer.},
  author={F Azzouzi and S Ait Lyazidi and Mustapha Haddad and Michel Lamotte and El Mokhtar Essassi and Mohamed Hnach and Mohamed Zenkouar},
  journal={Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy},
  volume={67 5},
Room temperature UV-vis absorption and emission spectra of the 1,4-diallylquinoxaline-2,3-dione (DAQX) are measured in solution at different concentrations. Even at very low concentration (approximately 10(-7)M), DAQX is shown to form ground state van der Waals dimers and excited dimers. These later species do not seem to rearrange into an excimer geometry. The theoretical simulation of the dimer, performed using the analytical atom-atom pair potential described below, predicts a non sandwich… Expand
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