Theoretical study of the alkoxyls groups effect on PPV-ether excited states, a relationship with femtosecond decay

Based on Density Functional Theory (DFT), the effect of alkoxyl substituents groups on the excited states of new PPV derivative (PPV-ether) are studied. Thus differences on the relaxation energy, the atomic charge distribution and the conjugation length at their excited state are interpreted on the pathways of the nature on the emissive species. Photoluminescence and optical spectra of the corresponding modeling structures are carried out. Furthermore, the life time at the excited state are emphasized either theoretically from oscillator strength or experimentally from time resolved photoluminescence.