Experimental and computational studies of newly synthesized azo dyes based materials

Tasli P. T., ATAY Ç. K., DEMİRTÜRK T., TİLKİ T.

JOURNAL OF MOLECULAR STRUCTURE, vol.1201, 2020 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 1201
  • Publication Date: 2020
  • Doi Number: 10.1016/j.molstruc.2019.127098
  • Journal Name: JOURNAL OF MOLECULAR STRUCTURE
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chimica, Compendex, INSPEC
  • Süleyman Demirel University Affiliated: Yes

Abstract

Azo dyes are organic compounds, which contain the coloring azo function (N=N-) and are used in the production of colored materials and materials. It is supported by the scientific researches widely used for the coloring of all the materials and materials presented on the shelf. The properties of azo dyes based materials considered in this work have been investigated by experimental measurements such as FT-IR, UV and NMR spectroscopies. The absorption wavelengths of the title compounds in different solvents have been obtained. Moreover, the ab-initio simulations based on Density Functional Theory (DFT) have been carried out in order to study the structural and vibrational properties of the azo dyes materials. The results of the DFT and Time Dependent Density Functional Theory (TD-DFT) calculations for the four azo dyes compounds are in good agreement with the experimental results. (C) 2019 Published by Elsevier B.V.