Bivalent transition metal complexes of (E)-3-(2-benzylidenehydrazinyl)-3-oxo-N-(p-tolyl)propanamide: Spectroscopic, computational, biological activity studies

Synthesis, Characterization, and Computational Chemical Study of Aliphatic Tricationic Surfactants as Corrosion Inhibitors for Metallic Equipment in Oil Fields

“…The AED inhibitor with the highest μ values (6.703 debye) considers the highest corrosion inhibitor owing to its strong interaction with the surface of carbon steel via dipole–dipole interaction and supports the accumulation of AED molecules on the S90 steel surface. 68 The number of transferable electrons (Δ N ) from the adsorbed molecule to the S90 steel surface can be regarded as the additional technique that is used to link quantum chemical parameters to the corrosion IE. This can be computed as follows 58 , 69 where η and X symbols donate the absolute hardness and absolute electronegativity for both the inhibitor and the S90 steel, respectively.…”

“…This can be computed as follows 58 , 69 where η and X symbols donate the absolute hardness and absolute electronegativity for both the inhibitor and the S90 steel, respectively. These two parameters were linked to ionization potential ( I = − E HOMO ) and electron affinity ( A = − E LUMO ) as presented in the following equations 68 − 71 where π denotes the chemical optional and denotes the softness. The theoretical values for X Fe and η Fe were 7.0 and 0.0 eV mol –1 , respectively.…”

“…The dipole moment (μ) arises from the unequal distribution of charges above particle’s atoms. The AED inhibitor with the highest μ values (6.703 debye) considers the highest corrosion inhibitor owing to its strong interaction with the surface of carbon steel via dipole–dipole interaction and supports the accumulation of AED molecules on the S90 steel surface . The number of transferable electrons (Δ N ) from the adsorbed molecule to the S90 steel surface can be regarded as the additional technique that is used to link quantum chemical parameters to the corrosion IE.…”

Synthesis, Characterization, Modeling, and Antimicrobial Activity of FeIII, CoII, NiII, CuII, and ZnII Complexes Based on Tri‐substituted Imidazole Ligand

“…Complex stoichiometry (metal:ligand ratio) was determined by applying both of spectrophotometric Job's method of continuous variation as well as conductometric measurements , . The continuous variation curves displayed maximum absorbance at mole fraction X ligand ≈ 0.65–0.7 (see Figure S2, Supporting Information), indicating the coordination between the metal ion and the HL ligand in 1:2 (M:L) molar ratio.…”

Construction, petro-collecting/dispersing capacities, antimicrobial activity, and molecular docking study of new cationic surfactant-sulfonamide conjugates

“…In parallel, Nalidixic acid (30 µg), Amoxicillin (30 µg) and Fluconazole (100 ppm) as positive controls, and sterile water as a negative control were tested against microbes. In addition, the % activity index was computed by the following equation [45] : …”