Chemek, M., Ben Amor, S., Taouali, W., Faulques, E., Bourass, M., Khlaifia, D., Haj Said, A. & Alimi, K. (2021) Photo-physical effects of the chemical insertion of the dimethyl-amine moiety on the newly synthesized oligophenylene (OMPA). Journal of Molecular Structure, 1241 130599.
Added by: Richard Baschera (2021-07-16 07:20:45) Last edited by: Richard Baschera (2021-07-16 07:26:11)
|Type de référence: Article
Numéro d'identification (ISBN etc.): 0022-2860
Clé BibTeX: Chemek2021
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|Catégories: INTERNATIONAL, MIOPS
Mots-clés: 4-(Methoxyphenyl)acetonitrile, Dimethylformamide Dimethyl Acetal (DMFDMA), optical properties
Créateurs: Alimi, Ben Amor, Bourass, Chemek, Faulques, Haj Said, Khlaifia, Taouali
Collection: Journal of Molecular Structure
Consultations : 2/198
Indice de consultation : 7%
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|Liens URLs https://www.scienc ... /S0022286021007328|
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 (Egopt) 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.