In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Theoretical and experimental study of torsional potentials, molecular structure (monomer and dimer), vibrational analysis and molecular characteristics of some dimethyl bipyridines, published in 2020-01-15, which mentions a compound: 1762-34-1, Name is 5,5′-Dimethyl-2,2′-bipyridine, Molecular C12H12N2, Safety of 5,5′-Dimethyl-2,2′-bipyridine.
This study deals with the determination of torsional potentials, mol. geometry in monomer and dimer form and vibrational assignments of 4,4′-dimethyl-2,2′-bipyridine (4DB); 5,5′-dimethyl-2,2′-bipyridine (5DB); and 6,6′-dimethyl-2,2′-bipyridine (6DB) using quantum chem. calculations carried out by d. functional theory (DFT) employing B3LYP functional in conjunction with 6-311++G(d,p) basis set. Existence of inter-mol. hydrogen bonds was predicted. Fourier Transform IR (FTIR) and Fourier Transform Raman (FT-Raman) spectra were recorded and vibrational anal. of the mols. was made using potential energy distribution (PED) and eigen vectors obtained in the computations. Observed and calculated frequencies agreed with an rms error 9.20, 8.21, and 8.33 cm-1 for 4DB, 5DB, and 6DB, resp. 1H and 13C NMR spectra were simulated using time-dependent DFT ; compared with the recorded exptl. spectra of the samples in Chloroform-d (CDCl3) solvent and observed that the chem. shifts agree well with their theor. counterparts. Electronic transitions were analyzed using exptl. and simulated UV-Vis spectra of the three mols. Mol. characteristics like HOMO-LUMO; thermodn. parameters; and mol. electrostatic surface potential (MESP) quantified with natural charges obtained by NBO anal. are also investigated.
Although many compounds look similar to this compound(1762-34-1)Safety of 5,5′-Dimethyl-2,2′-bipyridine, numerous studies have shown that this compound(SMILES:CC1=CN=C(C=C1)C1=NC=C(C)C=C1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.