Nano copper (II) complex based on 2 -cyano-N'-((2-hydroxynaphthalen-1-yl) methylene) acetohydrazide: Synthesis, spectroscopic, electrospinning, DFT calculations and optical properties

• Published in: Journal of molecular structure Vol. 1290; p. 135934
• Main Authors: Ali, Amira A.M., Dawy, Magdah, Ali, H.A.M.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15.10.2023
• Subjects: Copper (II) complex synthesis; DFT calculation; Electrospinning; Optical properties; Spectroscopic; Electrospinning; DFT calculation; Spectroscopic; Copper (II) complex synthesis; Optical properties
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2023.135934

•Synthesis of new hydrazone ligand with its nano copper (II) complex.•The optical properties and DFT calculation were performed for prepared compounds.•New electrospun fibers were fabricated from the prepared compounds.•Photoluminescence studies were performed for both forms, powder and fiber forms. 2-cyano-N'-((2-hydroxynaphthalen-1-yl)methylene)acetohydrazide, (1) and its copper (II) chelate (2) were synthesized and characterized by elemental analyses, TGA, FT-IR and spectroscopic techniques. By using an X-ray diffraction approach, the structural characteristics of the produced powder chelating agent (1) and its copper (II) chelate (2) were identified. The transmission electron microscope technique was utilized to analyze the morphology of the isolated compounds (1 and 2). In DMF solutions at various molar concentrations, the electronic absorption spectra of the chelating agent (1) as well as its copper (II) chelate (2) was examined in the UV– Vis. area. In the area of maximal absorbance, the molar extinction coefficient of the ligand (1) and its copper (II) complex (2) were calculated. For the ligand (1) as well as its copper (II) complex (2) at various molarities, the optical transition type and optical energy band gap values were explored using the absorption coefficient. New electrospun fibers (3) and (4) which fabricated from the prepared ligand (1) and its copper (II) complex (2), respectively. Photoluminescence studies performed for the samples (1, 2, 3 and 4). In addition, computational analyses of the free ligand (1) and its copper complex (II) (2) were carried out using DFT calculations. Schematic Representation of the prepared ligand (1) and its copper (II) complex (2) and their applications. [Display omitted]