Electronic Properties, Conformational Flexibility, and Reactivity Descriptors of 1-(2'-Hydroxybenzylidene)-5-(1'-Pyridylethylidene)carbonohydrazone: A Combined DFT and Experimental Assessment
In this study, the structural and electronic properties, as well as the chemical reactivity, of the Schiff base hydrazone 1-(2'-hydroxybenzylidene)-5-(1'-pyridylethylidene)carbonohydrazone were comprehensively investigated using density functional theory (DFT) at the B3LYP/6-311G(d,p) level. Geometric optimisation reve...