Experimental and computational studies on the absorption properties of novel formazan derivatives

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Turkoglu G., Cinar M. E.

TURKISH JOURNAL OF CHEMISTRY, vol.41, no.5, pp.710-740, 2017 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 41 Issue: 5
  • Publication Date: 2017
  • Doi Number: 10.3906/kim-1701-50
  • Journal Name: TURKISH JOURNAL OF CHEMISTRY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, TR DİZİN (ULAKBİM)
  • Page Numbers: pp.710-740
  • Keywords: Formazans, UV-visible absorption spectroscopy, substituent effect, solvent effect, density functional theory (DFT), SPECTRAL PROPERTIES DETERMINATION, ELECTROCHEMICAL PROPERTIES, CHEMISTRY, COMPLEXES, LIGANDS, SYSTEMS, SALTS, DFT
  • Anadolu University Affiliated: Yes

Abstract

Eight novel 3-(4-(benzyloxy)phenyl)-5-(4-bromophenyl)-1-(4-substituted-phenyl)formazan (4a 4h) were synthesized by coupling of substituted phenylhydrazones with diazonium salts of 4-bromoaniline. The substituted phenylhydrazones, which are intermediate products, were obtained from the condensation of substituted phenylhydrazines with 4-(benzyloxy)benzaldehyde. All target compounds were characterized by using FTIR, H-1 NMR, C-13 NMR, LC-MS spectrometry, and elemental analysis. Absorption spectra of these compounds in solvents with different polarities were investigated thoroughly. Time-dependent density functional theory (TD-DFT) studies were conducted to shed light on their electronic structures, Kohn-Sham orbitals, and electronic transitions.