Abstract

A novel methyl (Z)-2-(2-(2-oxonaphthalen-1(2H)-ylidene)hydrazineyl)benzoate isomer ligand has been prepared instead of (E)-methyl 2-((2-hydroxynaphthalen-1-yl)diazenyl)benzoate isomer in very good yield. The tautomerization of diazene to hydrazine was computed via DFT; the single proton tautomerization S(6) process was confirmed by XRD. Moreover, the XRD-crystal measurements supported the hydrazine form as the preferred kinetic isomer; the structure of the desired ligand was also examined by IR, UV–vis., Carbon, Hydrogen and Nitrogen elemental analysis (CHN-EA), and NMR. Hirshfeld surface analysis (HSA) computation was performed to support the lattice interactions resulting by X-ray diffraction (XRD) measurement. Furthermore, the time-dependent density functional theory (TD-DFT) and B3LYP/IR computation were used to support the UV–visible as well as FT-IR experimental results.

Title

Ismail

Publisher

warad

Publisher Country

Palestine

Publication Type

Prtinted only

Volume

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Year

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Pages

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