Synthesis, Identification and Computational Study of Thiazolidine 4-Carboxylic Acid Derivatives and Their Metal Complexes With Cu(II), and Ag(I)
DOI:
https://doi.org/10.48112/jestt.v1i2.439Abstract
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In this study, L-Cysteine with 3-ethoxy-4-hydroxybenzaldehyde and dihydroisobenzofuran-5-carbaldehyde yields novel bidentate ligands (2R,4R)-2-(3-ethoxy-4-hydroxyphenyl)thiazolidine-4-carboxylic acid L1 and (2R,4R)-2-(1,3-dihydroisobenzofuran-4-yl)thiazolidine-4-carboxylic acid L2 were reacted and characterized using spectral and physical data. Synthesis of coordination complexes was done via the reaction of L1 and L2, with Cu(II) and Ag(I) in molar ratio of 1:2 pertaining to metal: ligand. Based on Uv-visible spectra, Infra-Red (IR), flame atomic absorption, as well as magnetic susceptibility of metal complexes. The results show that the ligands behave as a bidentate and help to identify proper structure pertaining to complexes. In addition, the geometric shapes suggested of the prepared Cu-complexes CuL1 and CuL2 were square planar while AgL1 and AgL2 were tetrahedral Ag1+ complexes. The geometric optimization of molecular structure and the energies HOMO and LUMO of ligands L1 and L2 was calculated using the density functional theory DFT at the DNB level.
Keywords:
DFT, Material studio/DMol3, Metal complexes, Thiazolidine-4-carboxylic acid
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