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Photo-physical effects of the chemical insertion of the dimethyl-amine moiety on the newly synthesized oligophenylene (OMPA)

Abstract : The synthesized oligo [4-(methoxyphenyl) acetonitrile] (OMPA) was chemically modified by Knoevenagel condensation of OMPA with dimethylformamide dimethyl acetal (DMF-DMA). The obtained oligomer is composed of short chains of poly [3-(dimethylamino)-2-(4-methoxyphenyl)acrylonitrile] and denoted OMFA. Experimental measurements: ultraviolet-visible (UV-vis), steady-state and time-resolved photoluminescence spectroscopies, infrared spectroscopy, and thermogravimetric analysis (TGA), were combined with theoretical calculations, based on density functional theory (DFT) methodologies, to highlight the effect of the grafting of the dimethyl-amine group on the photo-physical and electronic properties of the as-synthesized oligomer. Thus, a redshift of the absorption and photoluminescence spectra is observed upon the chemical grafting of the functional group. Added to that, a decrease of the optical bandgap () and the energy gap EH-L=EHOMO-ELUMO occurs upon the chemical modification. DFT computations show that the chemical insertion of the dimethyl-amine group into the monomer and the oligomer induces a drastic change on their frontier orbitals HOMO and LUMO.
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Contributor : Richard Baschera Connect in order to contact the contributor
Submitted on : Wednesday, July 21, 2021 - 4:19:54 PM
Last modification on : Tuesday, September 28, 2021 - 4:18:05 PM

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M. Chemek, S. Ben Amor, W. Taouali, E. Faulques, M. Bourass, et al.. Photo-physical effects of the chemical insertion of the dimethyl-amine moiety on the newly synthesized oligophenylene (OMPA). Journal of Molecular Structure, Elsevier, 2021, 1241, pp.130599. ⟨10.1016/j.molstruc.2021.130599⟩. ⟨hal-03287971⟩

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