Due to acidic solutions aggressiveness, corrosion inhibitors use is considered to be one the most practical methods to delay metals dissolution in the said solutions. In this study benzimidazolyl derivative namely 2-cyanochalcones 2-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-(2-oxo-2H-chromen -3-yl) propanenitrile which was synthesized was then applied as a corrosion inhibitor for copper in 1 M HNO 3 solution. The inhibition action of this molecule was evaluated by gravimetric and density functional theory (DFT) methods. It was found experimentally that this compound has a better inhibition performance and its adsorption on copper surface follows Langmuir adsorption isotherm. This adsorption evolves with temperature and inhibitor concentration, it is endothermic and occurs spontaneously with an increase in disorder. Corrosion kinetic parameters analysis supported by Adejo-Ekwenchi model revealed the existence of both physisorption and chemisorption. DFT calculations related that compound adsorption on copper surface is due to its electron donating and accepting capacity. The reactive regions specifying the electrophilic and nucleophilic attack sites were analyzed using Fukui and dual descriptor functions. Experimental results obtained were compared with the theoretical findings.

The metal corrosion threat in the metallurgical industry is becoming increasingly important. So in this work, the inhibition properties of 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-(pyridin-3-yl) propanenitrile for copper corrosion in 1 M nitric acid medium were evaluated by mass loss technique, density functional theory (DFT) and quantitative structure-property relationship (QSPR) model. The results show that this compound was excellent anticorrosive properties with a maximum inhibition efficiency of 89.39 % for a concentration of 0.2 mM at 323 K. The inhibition efficiency increases with increasing temperature and inhibitor concentration. Adsorption isotherms reported that the molecule adsorbs on copper surface according to Langmuir isotherm. Thermodynamic adsorption and activation parameters were determined and analyzed. They revealed spontaneous adsorption and a strong interaction between the molecule and copper surface. DFT calculations at the B3LYP level with 6-31G(d,p) and 6-311G(d,p) basis set permitted to explain the electronic exchanges between molecule and copper, thus justifying the experimentally obtained inhibition efficiency values. A local reactivity study of molecules indicated that N (29) and C (7) atoms are the likely sites for nucleophilic and electrophilic attacks, respectively. In addition, QSPR model was used to correlate experimental inhibition efficiency with the descriptor parameters of the studied molecule, and it is found that the calculated inhibition efficiencies are close to experimental inhibition efficiencies. Finally, this study showed a good correlation between theoretical and experimental data.

The present study was designed to determine the inhibition effect of 2-(1H-benzimidazol-2-yl)-3-(4-hydroxyphenyl) acrylonitrile in 1M HNO3 using a combined experimental and theoretical approach. Mass loss techniques revealed that 2-(1H-benzimidazol-2-yl)-3-(4-hydroxyphenyl) acrylonitrile inhibition efficiency is dependent on its concentration and temperature. It has been shown that the studied molecule inhibits copper corrosion by an adsorption behavior by donating and accepting electrons. Kinetic parameters have been determined and discussed. Quantum chemical parameters calculated by means of density functional theory (DFT) have shown that studied molecule reactivity is strongly related to the electronic properties, which could help to understand the molecule-metal interactions. The reactive sites have been determined by means of Fukui Functions and dual descriptor. Quantitative structure-property relationship (QSPR) model introduced in this study was used to find a set of quantum chemical parameters capable of correlating the experimental and theoretical data in order to design more suitable organic corrosion inhibitors. The theoretically obtained results were found to be consistent with the experimental data reported.

Benzimidazole and imidazopyridine heterocycles associated with Michaël acceptors have shown strong anticandidosic potential in our previous work. After a decade of research, we have designed, synthesized and evaluated the anticandidosic activities of several new compounds with the structure benzimidazolyl-arylpropenone or benzimidazolylarylacrylonitriles or benzimidazolyl-arylcyanopropenone and imidazopyridinyl-arylpropenone. The evaluation of their antifungal activities by the bioautography method showed that these molecules possessed anticandidosic properties with MIQs ranging from 10 to 0.16 µg. These results also highlighted that the anticandidosic performance of our compounds was related to the nature of the Michaël acceptor and structural variations undertaken on the benzene homocycle. In this paper, we discuss the pharmacochemical design, the chemical synthesis and especially the structure-activity relationship studies of diazaheteroaryls functionalized by a Michaël acceptor of the arylpropenone or arylacrylonitrile or arylcyanopropenone type.

Rice, the main food of the population in Côte d'Ivoire, has a low yield. This study aimed to evaluate the ability of phenoxyacetic acid derivatives to boost the vegetative parameters of rice was conducted in Azaguié using a split-plot design. The rice varieties WA638-1, C26, Nérica 2 and seven phenoxyacetic acid derivatives were used. Three rice seeds of each variety were sown in pots. One seedling per variety was de-mated at 7 DAS. Volumes of 150, 180, and 225 ml concentrated at 10-5 M, 10-7 M, and 10-9 M were applied to the leaves on 15, 20, and 25 DAS, respectively. Height, number of tillers, girth and vigor index were determined. The results showed that treatment T7 improved the height of WAB638-1 to 6.75% and tillering to 366.6%. The vigor index was increased to 9.52% by T8 treatment and girth to 80.37% by T20. The formation of C26 tillers was favored at 171% by the T7 treatment, the girth at 83.17% by T21, the vigor index at 10 % by T21 and at 7.50% by the T14 and T8 treatments. In Nérica 2, vigor index and girth were positively induced at 15.15% and 34.83 % by T19 respectively. The vigor index was also promoted at 12.12% by treatments T20 and T21 and the number of tillers was improved at 150% by T13 and T19. As for height, it was stimulated to 22.39 % by the T14 treatment. The height of C26 was reduced except for T12, the vigor index was decreased to 2.50% by treatments T15, T17 and T3, the tillering to 66.70% by T4. The height of WAB638-1 was inhibited to 2.56% with T1 treatments. Treatments T13, T14, T7, T8, T19 and T20 were those that improved the observed parameters.