Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5,5′-Dimethyl-2,2′-bipyridine, is researched, Molecular C12H12N2, CAS is 1762-34-1, about Mixed ligand copper(II) chelates derived from an O, N, S- donor tridentate thiosemicarbazone: Synthesis, spectral aspects, FMO, and NBO analysis.Related Products of 1762-34-1.
Five new copper(II) chelates [(Cu(bmct))2] (1), [Cu(bmct)(phen)] (2), [Cu(bmct)(bipy)] (3), [Cu(bmct)(4,4′-dmbipy)] (4) and [Cu(bmct)(5,5′-dmbipy)] (5) with 5-bromo-3-methoxysalicylaldehyde-N(4)-cyclohexylthiosemicarbazone (H2bmct) as the chelating ligand and 1,10-phenanthroline, 2,2′-bipyridine, 4,4′-dimethylbipyridine, 5,5′-dimethylbipyridine as coligands were synthesized and characterized by different physicochem. techniques like CHNS anal., molar conductivity and magnetic studies, IR, UV/Vis and EPR spectral studies. In all the complexes, the thiosemicarbazone exists in thioiminolate form and coordinates to the metal through azomethine nitrogen, thioiminolate sulfur, and phenolate oxygen. EPR spectra in polycrystalline state at 298 K showed that compounds 1, 4, and 5 are isotropic, 2 is axial and 3 is rhombic in nature. In DMF at 77 K, compound 1 showed hyperfine lines in the parallel and perpendicular regions as well as superhyperfine lines due to the interaction of copper center with azomethine nitrogen of the ligand. Complex 2, in which g-II > g ⊥> 2.0023 suggests a distorted square pyramidal structure. To analyze the stability of the complexes, quantum chem. parameters like hardness, softness, polarizability, electrophilicity, electronegativity, and dipole moment were calculated and discussed within the framework of electronic structure principles known as Maximum Hardness, Min. Polarizability and Min. Electrophilicity Principles. Besides, the intramol. donor-acceptor interactions for all complexes were evaluated by using NBO anal. All calculations proved that compound 3 is the most stable chelate among them.
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