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Recent advances in the structure elucidation of d10 transition metal complexes based on 16-membered ring macrolide drug

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Title Recent advances in the structure elucidation of d10 transition metal complexes based on 16-membered ring macrolide drug
 
Creator Elkamhawy, Ismael M
Ali, Alaa E
Elasala, Gehan S
 
Subject Macrocyclic
Mass Spectra
Molecular Modelling
Mercury Complexes
Thermal Studies
 
Description 347-357
The present study outlines theoretical and spectroscopic investigations on a Tylan® ligand and some of its d10
transition metals complexes. Tylan interacts in a bidentate coordination manner through donor atoms of oxygen and
nitrogen in its structure. Two essential Tylan metal complexes have been synthesized and characterized depending on
their elemental analysis, molar conductivity and spectral studies (FT-IR and Mass spectra). The very low value of
molar conductivity of complexes demonstrates their non-electrolytic nature. From experimental studies, general
structures of these new complexes have been assumed as formula [M(TYS)X2(H2O)2], where TYS = Tylan ligand;
M = Hg(II) and Cd(II); X = Cl−. Based on spectroscopic studies, an octahedral geometry has been suggested for both
complexes. Molecular modelling by Gaussian 09 software has been employed to give further light on bonding
properties in addition to theoretically confirming binding sites of Tylan ligand and its new synthesized metal
complexes. The quantum chemical reactivity parameters such as chemical hardness, chemical potential,
electronegativity, electrophilicity index and HOMO-LUMO energy gap have been obtained theoretically. The thermal
analysis by TG-DTA indicates that the complex has three consecutive phases of decomposition which ends by the
formation of divalent metal oxide, CdO as a final product. While in case of Hg complex no metal oxide formation is
observed due to Hg(II) sublimation. The kinetic and thermodynamic parameters have been calculated utilizing DTA
curves. This study explains that Tylan ligand can form five-membered ring with metal ion Cd(II) and Hg(II) during
formation of complexes which gives high stability to the synthesized complexes.
 
Date 2024-04-16T09:28:36Z
2024-04-16T09:28:36Z
2024-04
 
Type Article
 
Identifier 2583-1321 (Online); 0019-5103 (Print)
http://nopr.niscpr.res.in/handle/123456789/63780
https://doi.org/10.56042/ijc.v63i4.6820
 
Language en
 
Publisher NIScPR-CSIR, India
 
Source IJC Vol.63(04) [April 2024]