Synthesis, molecular structure, spectroscopic and computational studies on 4-(2-(2-(2-formylphenoxy)ethoxy)ethoxy)phthalonitrile as Functionalized Phthalonitrile

Abstract

This work presents the synthesis and characterization of a novel compound, 4-(2-(2-(2-formylphenoxy)ethoxy)ethoxy)phthalonitrile as the aldehyde functional group substituted phthalonitrile derivative. The spectroscopic properties of the compound were examined by FT-IR, 1H-NMR, 13C-NMR, UV-vis, MS, elemental analyses. The molecular structure of the compound was also confirmed using X-ray single-crystal data with a theorical comparative approach.

Keywords

• synthesis
• single crystal
• crystal structure
• , aldehyde
• phthalonitrile
• theoretical calculation
• dft
• homo and lumo
• nmr
• molecular description