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- W4200354436 endingPage "115633" @default.
- W4200354436 startingPage "115633" @default.
- W4200354436 abstract "Three new copper(II) complexes containing benzoic acid (2-hydroxy-3-methoxy-benzylidene)-hydrazide (HL) viz., [Cu(L)(H2O)]NO3∙H2O 1, [Cu(L)(NO3)(H2O)] H2O 2 and [Cu4(L)4](ClO4)4 3 have been synthesized and characterized using physicochemical and spectroscopic methods. Complexes 1 and 2 are mononuclear while 3 is tetranuclear. In these complexes the center Cu(II) ions are four, five and six-coordinated in 1–3, respectively. All complexes involve hydrogen bonds and π⋯π interactions which develop supramolecular assemblies of different dimensionalities and architectures. The Hirshfeld surface analysis with 2D fingerprint plots revealed the short-range possible intermolecular interactions in these complexes. The molecular geometries in the ground state have been calculated using density functional theory (DFT) method with 631G(d) and 6–311++G(d,p) basis sets. The natural population analysis (NPA) and Mulliken charge distribution analysis showed the different electron donors which coordinate with copper. Some global reactivity descriptors like chemical potential (μ), electronegativity (χ), hardness (η) and electrophilicity index (ω) were also evaluated using DFT method. Additionally, antioxidant superoxide catalytic activity was also measured. The results of catalytic measurements exhibited that 2 provide an effective and selective catalytic system for dismutation of superoxide anion (O2∙-)." @default.
- W4200354436 created "2021-12-31" @default.
- W4200354436 creator A5014876236 @default.
- W4200354436 creator A5018419666 @default.
- W4200354436 creator A5030073126 @default.
- W4200354436 creator A5051726589 @default.
- W4200354436 creator A5058956461 @default.
- W4200354436 creator A5080882260 @default.
- W4200354436 date "2022-03-01" @default.
- W4200354436 modified "2023-09-29" @default.
- W4200354436 title "Structural diversity of copper(II) complexes with three dimensional network: Crystal structure, Hirshfeld surface analysis, DFT calculations and catalytic activity" @default.
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