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Abstract 2-( N -Bromoalkoxy)-5-(phenylazo)benzaldehydes 1 – 3 , 2-(3-bromomethylbenzyloxy)-5-(phenylazo)benzaldehyde 4 and their oximes 5 – 8 were synthesized and characterized by FT-IR, GC-MS, 1 H, 13 C and 2D NMR… Click to show full abstract
Abstract 2-( N -Bromoalkoxy)-5-(phenylazo)benzaldehydes 1 – 3 , 2-(3-bromomethylbenzyloxy)-5-(phenylazo)benzaldehyde 4 and their oximes 5 – 8 were synthesized and characterized by FT-IR, GC-MS, 1 H, 13 C and 2D NMR spectroscopy. The favoured conformations of aldehydes 1 – 4 and oximes 5 – 8 were predicted theoretically by geometry optimization and potential energy scan (PES) studies. Selected geometrical parameters and molecular properties such as AIM, NBO, HOMO-LUMO and MEP surfaces were derived from optimized structures. IR, 1 H and 13 C NMR data were also computed using Gaussian-03 package and compared with the observed values.
Journal Title: Journal of Molecular Structure
Year Published: 2017
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