Infrared Investigation of Certain Imidazole Derivatives and their Metal Chelates

Conformations, vibrational spectra and force field of 1-methyl-2-(2′-pyridyl)benzimidazole: experimental data and density functional theory investigation in comparison with 2-(2′-pyridyl)benzimidazole

“…The values of ZPE corrected energy differences between Me2PBI-A and Me2PBI-B forms are equal to 2.1 kcal/mol in H 2 O and 2.3 kcal/mol in DMF so the concentrations of form B in both solvents should be rather low. The relative energy of tautomeric Me2PBI (form C) in solvents remains very large, and this result is in good correspondence with conclusions on the conformational stability of 2PBI molecule [11]. Optimized Me2PBI-A molecule in gas has a plane of symmetry and belongs to the C S point symmetry group.…”

“…An assignment of vibrational spectra of 2PBI which have been proposed in Ref. [11] was entirely based on the experimental IR and Raman data. DFT (B3LYP/6-311?G*) calculations of 2PBI possible conformations have been carried out in Ref.…”

An Exploratory Study of Tridentate Amine Extractants: Solvent Extraction and Coordination Chemistry of Base Metals with <i>Bis</i>((1<i>R</i>-benzimidazol-2-yl)methyl)amine

“…The C=N stretching vibration of the benzimidazole rings of the free ligand (NNN) appeared at 1592 cm −1 [24,25], and coordination-induced frequencies were observed in the range 1548 -1565 cm −1 upon complex formation. The lowering in the double bond character of C=N is perhaps due to the influence of the benzimidazole groups being trans to each other.…”

Synthesis, characterization and electrochemical performance of a new imidazoline derivative as an environmentally friendly corrosion and scale inhibitor

“…. This peak, together with N-H stretching vibration peak at 3408.54 cm -1 and the one for C-H stretch, are three points of evidence for the presence and adsorption of BMIBMBPA corrosion inhibitor on the immersed carbon steel specimens [40].…”