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

Pinar Sen, Salih Zeki Yıldız, Vildan Enisoglu Atalay, Sibel Demir Kanmazalp, Necmi Dege

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;

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DOI: http://dx.doi.org/10.20450/mjcce.2019.1495

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