A new salen base 5-(phenylazo)-N-(2-amino pyridine) salicyliden Schiff base ligand: Synthesis, experimental and density functional studies on its crystal structure, FTIR, 1H NMR and 13C NMR spectra

Vibrational and conformational analysis on-N1-N2-bis((pyridine-4-yl)methylene) benzene-1,2-diamine

“…Ground state energies, zero point corrected energies (Eelect.+ZPE), relative energies and dipole moments of conformer s were presente d in Table S1 (Supporting informat ion). The conformer one is the most stable one and the theoretical geometry of the title compound fairly well reproduce the experime ntal one [24,25]. The results and discussion of this paper is based on conformer one.…”

“…The exact crystal structure of the title compound is not yet discovered so that the optimized structure can only be compared with other similar system, e.g. 2, 6-bis [3-metho xysalicylidene)hydrazinocarbony l] pyridine [25] and 5-(phenylazo)-N-(2-amino pyridine) salicylidene [24]. It is evident from Table S2 , the optimized bond lengths and bond angles were (31) (continued on next page ) slightly longer than the literature values because the molecular states were different during the experimental and theoretical process.…”

Synthesis, characterization, crystal structure and theoretical studies of new chiral Schiff base (E)-4-hydroxy[(1-phenylethyl)iminomethyl]benzyne

“…In recent years, density functional theory (DFT) calculations have been used extensively for calculating various properties of Schiff base compounds such as FT-IR and 1 H NMR spectra [16][17][18], tautomeric equilibrium [12][13][14][15], and conformational studies [19,20], and have provided reliable results which are in accordance with experimental data. In continuation of our studies [21][22][23][24], we report the synthesis, characterization, and crystal structure of the Schiff base (E)-4-hydroxy[(1-phenylethyl)iminomethyl]bezyne (1) (Scheme 1), as well as theoretical studies on it by using the DFT/B3LYP-6-31G method.…”

Synthesis, characterization and antimicrobial activity of 5‐(arylazo)salicylaldimines and their copper(II) complexes

“…Schiff's base compounds are interesting and versatile ligands, because of their simple preparation in one‐pot condensation of aldehydes (or ketones) and primary amines, and their ease of coordination to numerous transition metals via the imine functional group acting as a good N‐donor. Salicylaldimine ligands have been reported to enhance metal ion chelation and provide additional stability to a metal centre . Salicylaldimine‐based ligands have found applications in preparation of metallomesogens, optical metal ion detection and enantioselective catalysis …”