Abdelkrim Gouasmia

Synthesis of new unsymmetrically tetraheterofulvalenes. Study of their radical cation salts.

Chemical modifications of 4,5-bis(cyanoethylseleno) trimethylene tetrathiafulvalene based leading to new donor molecules are described. Electrochemical study of these new TTFs has been carried out. Several of these compounds are readily oxidized to lead to stable conducting radical cations salts and charge transfer complexes.

Synthesis and Electrochemical Proprieties of Novel Unsymmetrical Bis-Tetrathiafulvalenes and Electrical Conductivity of Their Charge Transfer Complexes with Tetracyanoquinodimethane (TCNQ)

The synthesis and properties of a series of bis-tetrathiafulvalenes (bis-TTFs) containing nitrophenyl, aminophenyl or dimethylaminophenyl is reported. The synthesis was carried out by using routes involving Wittig-type, cross-coupling, reduction and alkylation reactions. The electron donor ability of these new compounds has been measured by cyclic voltammetry (CV). Charge transfer complexes with tetracyanoquinodimethane (TCNQ) were prepared by chemical redox reactions. The complexes have been proven to give conducting materials.

Molecular Structure, HOMO-LUMO, MEP and Fukui Function Analysis of Some TTF-donor Substituted Molecules Using DFT (B3LYP) Calculations

In this letter, through computational study based on density functional theory (DFT/B3LYP) using basis set 6-31G (d,p) a number of global and local reactivity descriptors were computed to predict the reactivity and the reactive sites on the molecules. The molecular geometry and the electronic properties such as frontier molecular orbital (HOMO and LUMO), ionization potential (I) and electron affinity (A) were investigated to get a better insight of the molecular properties. Molecular electrostatic potential (MEP) for all compounds were determined to check their electrophilic or nucleophilic reactivity. The chemometric methods PCA and HCA were employed to find the subset of variables that could correctly classify the compounds according to their reactivity. Original Research Article Bendjeddou et al.; IRJPAC, 12(1): 1-9, 2016; Article no.IRJPAC.27066 2

New unsymmetrically benzene-fused bis (tetrathiafulvalene): synthesis, characterization, electrochemical properties and electrical conductivity of their materials.

The synthesis of new unsymmetrically benzene-fused bis (tetrathiafulvalene) has been carried out by a cross-coupling reaction of the respective 4,5-dialkyl-1,3-dithiole- 2-selenone 6–9 with 2-(4-(p-nitrophenyl)-1,3-dithiole-2-ylidene)-1,3,5,7-tetrathia-s-indacene- 6-one 5 prepared by olefination of 4-(p-nitrophenyl)-1,3-dithiole-2-selenone 3 and 1,3,5,7-tetrathia-s-indacene-2,6-dione 4. The conversion of the nitro moiety 10a–d to amino 11a–d then dibenzylamine 12a–d groups respectively used reduction and alkylation methods. The electron donor ability of these new compounds has been measured by cyclic voltammetry (CV) technique. Charge transfer complexes with tetracyanoquino-dimethane (TCNQ) were prepared by chemical redox reactions. The complexes have been proven to give conducting materials.

New materials derivatives of tetrathiapentalene functionalized by amide groups: Synthesis, characterization, and electrical study

GRAPHICAL ABSTRACT ABSTRACT A new series of bis-fused tetrathiafulvalene containing functional groups was synthesized. The synthesis was carried out by using routes involving cross coupling, reduction, and oxidation reactions. The identity of these new donors is confirmed by 1 H NMR spectroscopy, mass spectrometry, and elemental analysis. We have used the cyclic voltammetry in order to determine the character π-donors of these molecules and to verify the reversibility of the redox process involved. Molecular orbital diagram has been calculated using density-functional calculations. Charge transfer complexes with tetracyanoquinodimethane (TNQ) were prepared by chemical redox reactions.

Antibacterial Activity and Global Reactivity Descriptors of some Newly Synthesized Unsymmetrical Sulfamides

In the present study a series of unsymmetric linear sulfamides (1-9) starting from a primary amine were synthesized and their structures were confirmed by elemental analyses, mass spectrometry and 1H NMR techniques. All the synthesized compounds were screened for their antibacterial activities by both disc diusion and minimal inhibition concentration (MIC) methods. Frontier molecular orbital (FMO) analysis and global reactivity descriptors have been performed using the density functional theory (DFT) with the B3LYP functional. The results indicated that these derivatives, depending of their substituted radical, bring about an improvement in the bacterial activity. keywords: Unsymmetric Sulfamides, Antibacterial Activity, Global Reactivity, Minimum Inhibitory Concentrations (MIC).

CCDC 888827: Experimental Crystal Structure Determination

Related Article: Noura Benbellat, Yann Le Gal, Stephane Golhen, Abdelkrim Gouasmia,Lahcene Ouahab|2012|Synth.Met.|162|1789|doi:10.1016/j.synthmet.2012.08.018

New π-Extended Donors: Synthesis, Characterization, Electrochemical and Electrical Conductivity Studies

A new series of tetrathiafulvalene (TTF) molecules with extended π-system was prepared by using a Wittig reaction to generate the TTF key. The process of deprotection-alkylation of thiolates provided access to a wide variety of molecules. The study of their reducing power was carried out by cyclic voltammetry. Charge transfer complexes have also been chemically prepared by using TCNQ as an electron acceptor; the electrical conductivity of their compressed powders shows insulator behavior. The IR spectra of the TCNQ salts were recorded and used to characterize and estimate the degree of charge transfer of these complexes. GRAPHICAL ABSTRACT