Diazene<=>hydrazine tautomerization in MeOH, single proton intra-migration, XRD/HSA-interactions, spectral, optical and DFT/TD-DFT of new hydrazine
- Publication Type
- Original research
- Authors
The novel methyl (Z)-2-(2-(2-oxonaphthalen-1(2H)-ylidene)hydrazineyl)benzoate isomer has been prepared instead of (E)-methyl 2-((2-hydroxynaphthalen-1-yl)diazenyl)benzoate in very good yield. The isomerization of diazene to hydrazine was computed via DFT; the single proton intra-migration S(6) was confirmed. The XRD-crystal measurements supported the hydrazine form as favored isomer; moreover, the structure of the desired product was examined by IR, UV-vis., CHN, and NMR. Hirshfeld surface analysis (HSA) computation was performed to support the lattice interactions collected by XRD-result. Moreover, the TD-DFT and B3LYP/IR computation were used to support the UV-Vis and FT-IR experimental result.
Journal
- Title
- Ismail Warad
- Publisher
- Ismail Warad
- Publisher Country
- Palestine
- Publication Type
- Prtinted only
- Volume
- --
- Year
- --
- Pages
- --