期刊
JOURNAL OF SOLID STATE CHEMISTRY
卷 258, 期 -, 页码 477-484出版社
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jssc.2017.11.018
关键词
Magnesium(II) tetraporphyrin coordination complexes; X-ray diffraction; Hirshfeld surfaces; DFT approach; Fluorescence; Antibacterial activity
资金
- Tunisian Ministry of Higher Education and Scientific Research
Two novel magnesium(II) tetraphenylporphyrin-based six-coordinate complexes; bis(hexamethylenetetramine) (5,10,15,2O tetrakis[4(benzoyloxy)phenyl]porphinato) magnesuim(II) (1) and bis(1,4-diazabicyclo(2.2.2)octane) (5,10,15,2O-tetralds[4-(benzoyloxy)phenyl]porphinato)magnesium(II) (2) have been synthesised and confirmed by proton nuclear magnetic resonance, mass spectrometry, elemental analysis and IR spectroscopy. Both crystal structures were determined and described by single crystal X-ray diffraction analysis and Hirshfeld surfaces computational method. All Mg(II) atoms are surrounded by four porphyrin nitrogen atoms and two axial ligands coordinated to the metal ion through one nitrogen atom, forming a regular octahedron. In both complexes, molecular structures and three-dimensional framework are stabilised by inter-and intramolecular C-H center dot center dot center dot O and C-H center dot center dot center dot N hydrogen bonds, and by weak C-H center dot center dot center dot Cg pi interactions. UV-visible and Fluorescence investigations, respectively, show that studied complexes have a strong absorption in red part and exhibit an emission in the blue region. The HOMO-LUMO energy gap values, modelled using the DFT approach, indicates that both studied compounds can be classified as semiconductors. The role of these complexes as novel antibacterial agents was also performed.
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