Spectroscopic, Charge Transfer Interaction And Docking Studies Of Gardona Insecticide

Abstract The aim of this study is to provide deeper knowledge of structural activity, spectroscopic analysis, chemical reactivity and insecticidal activity of gardona and its related compounds by combining experimental and computational methods. The natures of the hydrogen bonds were characterized by NBO analysis. Hirshfeld surfaces display all of the intermolecular interactions within the molecule. The 1H and 13C NMR spectra were recorded. The evaluated HOMO and LUMO energies indicate the chemical stability of the molecules. The molecular docking was made on the compounds to study the hydrogen bond interaction and the minimum binding energy. Insecticidal activities of extracts were determined against larvae of Corcyra cephalonica.