Article ID Journal Published Year Pages File Type
1235098 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2007 7 Pages PDF
Abstract
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.
Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
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