Theoritical study of the geometrical and electronic properties of N. N'-di(ortho-substituted benzyl) hydrazine

2014/06/20 by M. Hamidi, L. Kacha, El Hamidi, M. +5
Engineering · Materials Science · #Concrete Corrosion and Durability #Conducting polymers and applications #Conformational analysis #Corrosion Behavior and Inhibition #HOMO #LUMO. #N #N'-di (ortho-substitued benzyl) hydrazine #Theoretical study

paper · doi:10.48317/imist.prsm/morjchem-v2i3.1998

openalex publication_date 2014/06/20 · openalex created_date 2017/04/28 · openalex updated_date 2026/07/01

Abstract

In this paper, we report on a theoretical study of N, N'-di(ortho-substituted benzyl) hydrazine (DBH (R)). The conformational analysis, structural and electronic properties were performed by the method B3LYP/6-31G (d). This study aims to show the interest of the substitution of radicals (R) of the two benzyl groups, then its effect on the physico-chemical properties. The results show that the values of the bonds lengths and angles of the torsion of the compounds studied are comparable to those obtained in the literature. Inductive or mesomeric effect of the substituent (R) has an impact on the length of the bridge bond the N-N, energy Gap, maximum absorption and stability of these compounds.

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