Molecular structure and DFT calculations of aqua(5,10,15,20-tetrakis[4-(benzoyloxy)phenyl] porphyrinato)magnesium-dioxane

Nesrine Amiri,Umar Ali Dar,Nasarul Islam,Mouhieddinne Guergueb,Gilles Lemercier,Sylviane Chevreux,Habib Nasri

Journal of Molecular Structure（2022）

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摘要

•Synthesis of magnesium (II) complex.•Molecular and supramolecular features were described via single crystal analysis.•The crystal structure was determined and described by Hirshfeld surfaces computational method.•DFT calculations were investigated.

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关键词

Magnesium(II) tetraporphyrin coordination complex,X-ray crystallography,Hirshfeld surfaces, DFT Calculations

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