Spectral-Fluorescence Properties of Zn(II)-Octaphenyltetraazaporphyrins

The cyclization of di-(2,6-difluorophenyl)maleindinitrile with magnesium(II) and zinc(II) acetates in boiling ethylene glycol is applied to synthesize Mg(II) and Zn(II) complexes of the octa-(2,6-difluorophenyl)tetraazaporphyrin. The compounds are identified by UV–Vis, 1H NMR, and mass spectrometry methods. A comparative analysis is performed of the spectral-luminescent properties of magnesium and zinc octaaryltetraazaporphyrinates and their dependence on the number and position of the fluorine atoms in the macrocycle phenyl fragments. The DFT method is used to optimize the geometry of the synthesized complexes. Machine learning methods and QSPR are applied to predict the Soret band wavelength in the UV–V is spectra of the complexes described.

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“… * The wavelength value was taken from [ 33 ] as the authors did not specify the spectral properties directly in [ 20 ]. …”

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confidence: 99%

Synthesis, Structure, and Spectral-Luminescent Properties of Peripherally Fluorinated Mg(II) and Zn(II) Octaphenyltetraazaporphyrins

2022

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Synthesis and Properties of Metal Complexes with Halogen-Substituted Octaphenyltetraazaporphyrins

2023

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Metallophthalocyanines for PDT Applications: A DFT Study

Aydogdu

Hatipoğlu

Erdoğmuş

2022

J. Comput. Biophys. Chem.

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Phthalocyanines (Pcs) are an important group of substances with interesting chemical and physical properties with many different application areas. The use of Pc compounds in photodynamic therapy (PDT), especially in the treatment of cancer, has gained great importance in recent years. In this study, the spectral and electronic properties of new PDT active anticancer non-peripheral tetrakis [2-mercaptoquinoline]phthalocyanine and metal complexes were examined by using Density Functional Theory (DFT). Their properties were computed in DMSO and water phases. The UV absorption spectrum study results show that the main transition responsible for the Q band of the molecular spectrum is from [Formula: see text] to [Formula: see text]. The presence of the heavier atom in the Pc cavity has the effect of enhancing the fluorescence quantum yield. In addition, photochemical singlet oxygen production of newly synthesized phthalocyanine and metal complexes was also investigated. The calculated spectral (UV, IR, NMR) and singlet oxygen yield results were compared with the experimental ones and they were in good agreement.

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Spectral-Fluorescence Properties of Zn(II)-Octaphenyltetraazaporphyrins

Cited by 4 publications

References 33 publications

Synthesis, Structure, and Spectral-Luminescent Properties of Peripherally Fluorinated Mg(II) and Zn(II) Octaphenyltetraazaporphyrins

Synthesis, Structure, and Spectral-Luminescent Properties of Peripherally Fluorinated Mg(II) and Zn(II) Octaphenyltetraazaporphyrins

Synthesis and Properties of Metal Complexes with Halogen-Substituted Octaphenyltetraazaporphyrins

Metallophthalocyanines for PDT Applications: A DFT Study

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