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Synthesis, Structure, and Spectral-Luminescent Properties of Peripherally Fluorinated Mg Octaphenyltetraazaporphyrins

Molecules (Basel, Switzerland), 2022-12, Vol.27 (23) [Peer Reviewed Journal]

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Title:
Synthesis, Structure, and Spectral-Luminescent Properties of Peripherally Fluorinated Mg Octaphenyltetraazaporphyrins
Author: Rusanov, Alexey ; Chizhova, Natalya ; Mamardashvili, Nugzar
Subjects: Mass spectrometry
Is Part Of: Molecules (Basel, Switzerland), 2022-12, Vol.27 (23)
Description: 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, [sup.1]H 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.
Publisher: MDPI AG
Language: English
Identifier: ISSN: 1420-3049
EISSN: 1420-3049
DOI: 10.3390/molecules27238619
Source: GFMER Free Medical Journals
PubMed Central
Alma/SFX Local Collection
ProQuest Central
DOAJ Directory of Open Access Journals

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