Exploring the geometric, magnetic and electronic properties of Hofmann MOFs for drug delivery

摘要: The geometric, magnetic, and electronic properties the drug capturing abilities of Hofmann-type metal organic frameworks (MOFs) were examined using theoretical calculations. detailed calculations predicted that Hofmann sheet can have two different conformations, planar twisted. Ni–Co was most stable among systems studied, whereas Ni–Fe least stable. All sheets magnetic spin semiconductors, having Dirac-like dispersionless bands, which give rise to a major spatial separation between charge carriers upon excitation. After treatment with bidentate ligands, such as pyrazine bipyridine, these produce three dimensional cage-like structure, is efficient for small molecules, e.g., fluorouracil niacin. This study shows atom ligand structure significant effect on systems. Therefore, may be tunable host system delivery.