Journal
JOURNAL OF MOLECULAR LIQUIDS
Volume 305, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.molliq.2020.112794
Keywords
Spectral characterization; Theoretical calculation; Cyclic voltammetry; Biological activities
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In the present work, a pyrazole derivative ligand HDMP (3-(3,5-dimethylpyrazol-1-yl)-3-oxopropionitrile) besides its Cu(II), Hg(II) & Mn(II) complexes are prepared. On the view of structure characterization, various spectroscopic analyses are applied (IR, UVVisible, (HNMR)-H-1 and EPR). Also, Cu(II) complex is selected to undergo different X-ray techniques including (SEM, TEM and powder XRD) to predict the surface morphology, the size of particle and the extent of complex crystallinitty. Additionally, molecular electrostatic potential molecular, modeling of the geometric optimized compounds, highest occupied and lowest unoccupied molecular orbitals are performed using DMOL3 based on DFT method. The cyclic voltammetry of Cu(II) in (absence/presence) of HDMP were studied to investigate the effect of complex formation on the electrochemical manners of Cu(II) ion. Finally, biological investigation involving (Anti-microbial, Anti-oxidant activity and Bleomycin-dependent DNA damage) are screened. (C) 2020 Elsevier B.V. All rights reserved.
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