Vol. 10, Issue 5 (2022)
Copper (II) complex [Cu(L) (IMD)].H2O: synthesis, spectral, molecular structural investigations, FMOs, and Insilco biological assets
Author(s): Pradeep K Vishwakarma and Ram C Maurya
Abstract: In this article, we report the experimental and theoretical chemistry of the copper(II) complex. The complex was synthesized by treatment of CuCl2.2H2O with ONO-donor Schiff base and imidazole in equimolar molar amounts in methanol to produced [Cu(L)(imd)].H2O 1 [where H2L=2-Hydroxynapthaldehyde-N-isonicotinic acid hydrazide. The synthesized ligand as well as the complex were characterized by physicochemical techniques like magnetic measurements, infrared, electronic, and ESI-Mass spectral methods. The square planar geometry for Cu(II) complex 1 has been assigned with (3+1) coordination environments, HOMO-LUMO, and its energy gap was done with the DFT approach. Moreover, ligands and complexes were also exposed to Insilco drug-likeness and bioactivity score prediction by Molinspiration software.
Pages: 106-113 | 221 Views 50 Downloads
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How to cite this article:
Pradeep K Vishwakarma, Ram C Maurya. Copper (II) complex [Cu(L) (IMD)].H2O: synthesis, spectral, molecular structural investigations, FMOs, and Insilco biological assets. Int J Chem Stud 2022;10(5):106-113.
