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Elucidating of new hydrazide-based complexes derived from Pd(II), Cu(II) and Cd(II) ions: studies concerning spectral, DFT, Hirshfeld-crystal, biological screening beside Swiss-ADME verification by Omaymah Alaysuy; Hana M. Abumelha; Amerah Alsoliemy; Arwa Alharbi; Nada M. Alatawi; Hanan E.M. Osman; Rania Zaky; Nashwa M. El-Metwaly is a Chemistry article available to read on EtoBox.
What is Elucidating of new hydrazide-based complexes derived from Pd(II), Cu(II) and Cd(II) ions: studies concerning spectral, DFT, Hirshfeld-crystal, biological screening beside Swiss-ADME verification about?
A new hydrazide ligand (HL) was characterized to be used for synthesis of some bivalent complexes via a green approach that free from hazard solvents. All synthesizes were analytically, spectrally and computationally characterized by using all available techniques. A bis-ligands were coordinated with Pd(II) and Cd(II) ions through neutral bidentate mode of C = O and C = N groups. While, a mono-ligand was coordinated with Cu(II) ion through a mono-negative tridentate mode. Such mode of bonding was suggested based on IR and NMR analysis and then confirmed computationally. The charges on N(10), O(12) and N(13) atoms in the ligand indicate their high nucleophilicity. The complexes were suggested in octahedral or square-planer geometry according to UV-Vis spectra and ESR spectrum of Cu(II) complex. The g-factors and anisotropic parameters supported the square planer geometry of [CuCl(L)] complex. The thermogravimetric (TGA) and kinetic analyses were studied for all complexes and supporting their freedom from water molecules and non-spontaneity of degradation stages. Some physical properties were estimated from modelling study and the superiority of most complexes over HL was noticed. Fu
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- Author
- Omaymah Alaysuy; Hana M. Abumelha; Amerah Alsoliemy; Arwa Alharbi; Nada M. Alatawi; Hanan E.M. Osman; Rania Zaky; Nashwa M. El-Metwaly
- Publisher
- Elsevier BV
- Published
- 2022
- Language
- EN
- Field
- Chemistry (Physical Sciences)