SYNTHESIS, MOLECULAR STRUCTURE AND SPECTROSCOPIC AND COMPUTATIONAL STUDIES ON 4-(2-(2-(2-FORMYLPHENOXY)ETHOXY)ETHOXY)PHTHALONITRILE AS A FUNCTIONALIZED PHTHALONITRILE

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Sen P., YILDIZ S. Z., ENİSOĞLU ATALAY V., Kanmazalp S. D., DEGE N.

MACEDONIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING, vol.38, no.1, pp.63-74, 2019 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 38 Issue: 1
  • Publication Date: 2019
  • Doi Number: 10.20450/mjcce.2019.1495
  • Journal Name: MACEDONIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.63-74
  • Keywords: single crystal, aldehyde, phthalonitrile, DFT, HOMO, LUMO, METAL-COMPLEXES, PM6 METHOD, PHTHALOCYANINES, HARDNESS
  • Ondokuz Mayıs University Affiliated: Yes

Abstract

This work presents the synthesis and characterization of a novel compound, 4-(2-(2-(2-formylphenoxy)ethoxy)ethoxylphthalonitrile as the aldehyde functional group substituted as a phthalonitrile derivative. The spectroscopic properties of the compound were examined through Fourier-transform infrared spectroscopy, Proton nuclear magnetic resonance, Carbon nuclear magnetic resonance, Ultraviolet-visible spectroscopy, Mass spectrometry and elemental analyses. The molecular structure of the compound was also confirmed using X-ray single-crystal data with a theoretical comparative approach.