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

Beyza Cabir, Ümit Yıldıko, Mehmet Salih Ağırtaş, Sabit Horoz

2020Inorganic and Nano-Metal Chemistry13 citationsDOI

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).

Topics & Concepts

CobaltPhthalonitrileCopperPhthalocyanineSolubilityDensity functional theoryAbsorption (acoustics)MetalMaterials scienceCurrent densityInorganic chemistryChemistryPhysical chemistryOrganic chemistryComputational chemistryNanotechnologyComposite materialQuantum mechanicsPhysicsPorphyrin and Phthalocyanine ChemistryOrganic Chemistry Cycloaddition ReactionsPhotochromic and Fluorescence Chemistry
Computational DFT calculations, photovoltaic properties and synthesis of (2R, 3S)-2, 3, 4-trihydroxybutoxy substituted phthalocyanines | Litcius