Computational DFT calculations, photovoltaic properties and synthesis of (2R, 3S)-2, 3, 4-trihydroxybutoxy substituted phthalocyanines


Cabir B., YILDIKO Ü., Ağırtaş M. S. , HOROZ S.

INORGANIC AND NANO-METAL CHEMISTRY, 2020 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume:
  • Publication Date: 2020
  • Doi Number: 10.1080/24701556.2020.1725051
  • Journal Name: INORGANIC AND NANO-METAL CHEMISTRY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Keywords: Phthalocyanine, synthesis, aggregation, DFT calculations, photovoltaic, PHOTOCHEMICAL PROPERTIES, SOLUBLE PHTHALOCYANINES, FT-RAMAN, ERYTHRITOL, AGGREGATION, ANTIOXIDANT, ABSORPTION, SPECTRA, MEP, IR
  • Van Yüzüncü Yıl University Affiliated: Yes

Abstract

In this study, 4-((2R, 3S)-2, 3, 4-trihydroxybutoxy) phthalonitrile was synthesized and characterized as starting material. This new starting material reacts with cobalt and copper metal salts to obtain metallophthalocyanine complexes. The electronic absorption of cobalt and copper phthalocyanine compounds in different concentrations of THF was investigated. In addition, the solubility and absorption of the compounds in different solvents were investigated. Density functional theory was also performed to support the relevant experimental results of the synthesized copper and cobalt center atomic compound. The photovoltaic performance of compounds was measured as current density-voltage (J-V).