Theoretical and experimental studies of newly synthesized (Z)-4-(2-(3,5-dibromo-2-hydroxy-4-methoxybenzylidene)hydrazinyl)benzonitrile compound
Journal of Molecular Structure(2018)
摘要
(Z)-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.
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关键词
DMBH,Theoretical calculations,Global reactivity descriptors,Spectral properties
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