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, cilt.38, sa.1, ss.63-74, 2019 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 38 Sayı: 1
  • Basım Tarihi: 2019
  • Doi Numarası: 10.20450/mjcce.2019.1495
  • Dergi Adı: MACEDONIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.63-74
  • Anahtar Kelimeler: single crystal, aldehyde, phthalonitrile, DFT, HOMO, LUMO, METAL-COMPLEXES, PM6 METHOD, PHTHALOCYANINES, HARDNESS
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

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.