Azzouzi, F. and Ait Lyazidi, S. and Haddad, M. and Lamotte, M. and Essassi, E.M. and Hnach, M. and Zenkouar, M. (2007) Spectroscopic characterization and theoretical simulation of 1,4-diallylquinoxaline-2,3-dione self dimer. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 67 (5). pp. 1263-1269.

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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 (∼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 face-to-revers slipped structure with head-to-tail orientation. The allowed absorption transitions, calculated using ZINDO/S package, reproduce satisfactory the experimental spectrum for both the monomer and the simulated dimer. © 2006 Elsevier B.V. All rights reserved.

Item Type: Article
Uncontrolled Keywords: Absorption spectra; Emission spectroscopy; Fluorescence; Ketones; Monomers; Ultraviolet visible spectroscopy; Van der Waals forces, Excimer geometry; Excited dimers, Dimers
Subjects: Chemistry
Divisions: SCIENTIFIC PRODUCTION > Chemistry
Depositing User: Administrateur Eprints Administrateur Eprints
Last Modified: 31 Jan 2020 15:45

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