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In a first step, we synthesized and characterized a new series of TTF type linked to cyclic sulfonamide (protected, deprotected, acylated or methylated), then a thorough theoretical study of chemical reactivity was started in order to understand the structures and predict the properties and molecular interactions, in the hope that they may be biologically active and / or have applications in nonlinear optics for the formulation of new alternative materials. In a second step, we used the reactivity indices derived from the DFT (Energy, HOMO-LUMO, ΔEgap, MEP, global reactivity, Fucki, Mulliken charge, NBO, NLO, etc.),to predict the structural, reaction, optical, electronic properties of a series of fused bis-tetrathiafulvalene systems designed for various applications in particular in the field of optics and / or photonics.

Item Type	Thesis
Divisions	» Laboratory for Terrestrial and Aquatic Ecosystems » Faculty of Science and Technology
ePrint ID	2590
Date Deposited	2021-06-07
Further Information	Google Scholar
URI	https://univ-soukahras.dz/en/publication/article/2590

@phdthesis{uniusa2590,
    title={Etude Théorique de La Réactivité Chimique Des Compposés Hétérocycliques},
    author={Hanane TABBI},
    year={2021},
    school={university of souk ahras}
}