New pyrene and fluorene-based π-conjugated Schiff bases: Theoretical and experimental investigation of optical properties

Sivrikaya Y., Sakarya H., Kılıç G., Ekti S., Yandimoğlu M.

JOURNAL OF THE SERBIAN CHEMICAL SOCIETY, cilt.89, sa.7-8, ss.1025-1038, 2024 (SCI-Expanded, Scopus)

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 89 Sayı: 7-8
  • Basım Tarihi: 2024
  • Doi Numarası: 10.2298/jsc230815097s
  • Dergi Adı: JOURNAL OF THE SERBIAN CHEMICAL SOCIETY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, Aquatic Science & Fisheries Abstracts (ASFA), CAB Abstracts, Central & Eastern European Academic Source (CEEAS), Chemical Abstracts Core, Communication Abstracts, Food Science & Technology Abstracts, Metadex, Directory of Open Access Journals, Civil Engineering Abstracts
  • Sayfa Sayıları: ss.1025-1038
  • Eskişehir Osmangazi Üniversitesi Adresli: Evet

Özet

The new Schiff bases with D-?-A system were synthesized from the reaction of polycyclic aldehydes and substituted benzothiazoles. The structure of the synthesized Schiff bases (7a and 9a) was determined by FT-IR, 1H NMR, 13C NMR, ESI-Mass and elemental analyses. The optical properties of the new compounds were investigated and the optical band gaps (Eg) were calculated by the Tauc method using the UV-Vis absorption spectra. Density Functional Theory (DFT/B3LYP/6-31 G (d, p)) calculations were conducted to get more insight on the structural and electronic properties of novel Schiff bases. The optimized molecular geometry, UV-Vis spectroscopic parameters and HOMO-LUMO energies were examined and the calculated results were compared with experimental data.