Open AccessDesign, Spectroscopic Characterization and Theoretical Studies of Organotin(IV) and Organosilicon(IV) Complexes with Schiff Base Ligands Derived from Amino Acids
Author(s) -
Sunita Bhanuka,
Sarita Khaturia,
Mamta Chahar,
Har Lal Singh
Publication year - 2020
Publication title -
asian journal of chemistry/asian journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.145
H-Index - 34
eISSN - 0975-427X
pISSN - 0970-7077
DOI - 10.14233/ajchem.2020.22850
Subject(s) - chemistry , organosilicon , denticity , schiff base , density functional theory , carboxylate , imine , ligand (biochemistry) , moiety , molar conductivity , electronegativity , metal , computational chemistry , crystallography , polymer chemistry , stereochemistry , organic chemistry , biochemistry , receptor , catalysis
A new series of organotin(IV) and organosilicon(IV) complexes were synthesized using the Schiffbase ligands [2-((3,4-dimethoxybenzylidene)amino)-3-(1H-indol-3-yl)propanoic acid (L1H) and2-((3,4-dimethoxybenzylidene)amino)-3-methylbutanoic acid (L2H)]. The synthesized compounds werecharacterized by IR, NMR (1H and13C), elemental analysis and theoretical studies. The molarconductivity values of the complexes in DMF implied the presence of non-electrolyte species. Spectraldata showed that in these complexes the metal atoms are coordinated with the Schiff base ligand actsas a bidentate ON moiety, coordinating to the metal through its carboxylate oxygen and imine nitrogen.The IR spectra of the complexes showed large differences between νasy(COO) and νsy(COO), Δν(νasy(COO)–νsy(COO)) of 260-276 cm–1, indicating monodentate nature of the carboxylate group.Furthermore, the density functional theory (DFT) calculations were executed at the B3LYP/6-31G(d,p)/LanL2DZ basis set of theory for the optimized geometry of Schiff base complexes. The structuralparameters, bond length, bond angles, chemical potential, electronegativity, hardness, softness, globalelectrophilicity index have been studied theoretically by density functional theory (DFT) to supportthe experimental results.