Synthesis of isoniazide derivatives for the assembly of new coordinative compounds: a comparative study of theoretical and experimental data

Abstract

The paper describes the synthesis and characterization of the coordination compounds obtained by condensation reactions between isoniazid and 3-pyridinecarboxaldehyde, respectively 4 pyridinecarboxaldehyde. Isoniazid, a derivative of isonicotinic acid, reacts with pyridinic aldehydes to form imines, and then these imines are used to form coordination complexes with transition metal ions. The study details experimental as well as theoretical aspects. Experimental analyzes and theoretical simulations highlighted the impact of the structure of the derivatives on the stability and properties of the final compounds. The results suggest that isoniazid derivatives can form stable complexes with metals, having potential applications in catalysis and advanced materials development. The study provides an in-depth understanding of the reaction mechanisms and indicates directions for optimizing the synthesis and use of these compounds in various fields.