Synthesis, photophysical, electrochemical and DFT studies of two novel triazine-based perylene dye molecules


Dinleyici M., Al-Khateeb B., Abourajab A., Uzun D., KOYUNCU S., Icil H.

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, cilt.421, 2021 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 421
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1016/j.jphotochem.2021.113525
  • Dergi Adı: JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, BIOSIS, Chemical Abstracts Core, Chimica, INSPEC
  • Anahtar Kelimeler: Oligomer, Agglomerate, Electrochemistry, Spectroelectrochemistry, DFT, DSSC
  • Çanakkale Onsekiz Mart Üniversitesi Adresli: Evet

Özet

One new 2,4-diamino-6-phenyl-1,3,5-triazine containing perylene diimide and oligomer were designed, synthesized, and characterized. The absorption, electrochemical, spectroelectrochemical, morphological characteristics have been investigated. Density functional theory (DFT) computational studies confirmed the compounds' structural and electrochemical features. The weight-average molecular mass (M-w) of 3500 g/mol was obtained for the helical oligomer 4 from the gel permeation chromatography (GPC) measurements, indicating the heptamer structure formation. The HOMO and LUMO energy levels of compounds 3 and 4 were -5.83/-3.93 and -6.10/-4.01 eV, respectively. The photovoltaic parameters V-oc, I-sc, FF and eta(cell) of diimide 3 based DSSC are 0.316 V, 0.432 mA/cm(2), 0.08 and 0.011% respectively. Those parameters for the oligomer dye 4 are 0.318 V, 0.455 mA/cm(2), 0.15 and 0.0211%, respectively.