Premium
Synthesis, characterization, density functional theory, thermal, antimicrobial efficacy, and DNA binding/cleavage studies of Cu( II ), Cr( III ), Fe( III ), Ni( II ), Co( II ), Zn( II ), and Pt( IV ) complexes with a derivative of 2‐hydroxyphenoxymethylfuran‐5‐carbaldehyde
Author(s) -
AlMohaimeed Amal M.,
AlFarraj Eida S.,
AlOnazi Wedad A.,
Alothman Asma A.,
Almarhoon Zainab M.
Publication year - 2020
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.202000042
Subject(s) - chemistry , crystallography , octahedral molecular geometry , density functional theory , schiff base , ligand (biochemistry) , metal , magnetic susceptibility , proton nmr , electron paramagnetic resonance , square pyramidal molecular geometry , stereochemistry , crystal structure , nuclear magnetic resonance , computational chemistry , organic chemistry , biochemistry , receptor , physics
In this study, Seven new complexes incorporating (E)‐2‐(((5‐([2‐hydroxyphenoxy]methyl)furan‐2‐yl)methylene)amino)phenol derived from 2‐hydroxyphenoxymethylfuran‐5‐carbaldehyde and 2‐aminophenol have been synthesized using Cu(II), Cr(III), Fe(III), Ni(II), Co(II), Zn(II), and Pt(IV) metal salts. Thermal measurements, molar conductance, magnetic moment, elemental analyses, spectral (IR, UV–Vis, 1 H nuclear magnetic resonance (NMR), ESR, Mass), were used to characterize insulated solid complexes. The thermogravimetry (TG) and differential thermoanalysis (DTA) of the complexes were carried out in the range of 30–900°C. Magnetic susceptibility and electronic spectral data, as well as quantum chemical calculations, reveal the square planar geometry for Ni (II) complex, square planar/octahedral geometry for Cu (II) complex, while Co(II), Zn(II), Cr(III), Fe(III), and Pt (IV) complexes are octahedral geometry. Density functional theory (DFT) studies revealed that geometries of metal complexes and Schiff base were entirely optimized in relation to use energy by 6–31 + g (d,p) basis set. The complexes show a well‐defined crystal system indicated by a powder‐X‐ray diffraction pattern. The scanning electron microscope showed complexes were nanocrystalline in nature, in addition to the interaction of the complexes with calf thymus CT‐DNA, which was investigated via the UV–visible absorption method. Therefore, the DNA cleavage activity by the H 2 L ligand and its metal complexes was performed. Finally, the synthesized complexes were tested for their in‐vitro antimicrobial efficacy.