Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 1762-34-1, is researched, SMILESS is CC1=CN=C(C=C1)C1=NC=C(C)C=C1, Molecular C12H12N2Journal, Polyhedron called Mixed ligand copper(II) chelates derived from an O, N, S- donor tridentate thiosemicarbazone: Synthesis, spectral aspects, FMO, and NBO analysis, Author is Jacob, Jinsa Mary; Kurup, M. R. Prathapachandra; Nisha, K.; Serdaroglu, Goncagul; Kaya, Savas, the main research direction is copper thiosemicarbazone complex preparation ESR frontier mol orbital; optimized mol structure copper thiosemicarbazone complex.Reference of 5,5′-Dimethyl-2,2′-bipyridine.
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.
After consulting a lot of data, we found that this compound(1762-34-1)Reference of 5,5′-Dimethyl-2,2′-bipyridine can be used in many types of reactions. And in most cases, this compound has more advantages.