Optical Absorption and Electronic Properties of 4-Amino- antipyrine Schiff’s Bases: A Combined Experimental and DFT Study

Abstract

The Schiff base compounds (A1–A9) have been synthesized and characterized by elemental analysis, FT-IR, UV-Vis, mass spectrometry, ¹H-NMR and ¹³C-NMR. Electronic absorption spectra of A1–A9 are studied in various solvents with different polarity like hexane, chloroform, methanol and dimethyl sulfoxide. To support and better understanding of experimental results, density functional theory (DFT), time dependent density functional theory (TDDFT) calculations has been carried out for these molecules and are in good agreement with the experimental values