Theoretical and experimental studies of newly synthesized (Z)-4-(2-(3,5-dibromo-2-hydroxy-4-methoxybenzylidene)hydrazinyl) benzonitrile compound

(2)-4-(2-(3,5-dibromo-2-hydroxy-4-methoxybenzylidene)hydrazinyl)benzonitrile compound (DHMB) was synthesized by a condensation reaction of 4-cyanophenylhydrazine hydrochloride and 3,5-dibromo-2-hydroxy-4-methoxy benzaldehyde. For characterization of DHMB were used IR, UV visible, LC-MS NMR devices. Kamlet-Taft and Catalan parameters were computed from max abs values obtained from UV spectra in different solvents of DMBH. It was used Gaussian 09 software for theoretical calculations. From theoretical data obtained was calculated global reactivity descriptors of DMBH. It was observed that there was a good agreement between experimental NMR and calculated NMR data. R-2 for H-1-NMR and C-13-NMR were computed as 0.9516 and 0.8847 respectively. While parameter affecting the resolution of DMBH was solvent dipolarity parameters according to Kamlet-Taft equation, it was solvent polarizability ability according to Catalan equation. (C) 2018 Elsevier B.V. All rights reserved.