Triorganotin Lab Report
Synthetic, Structural, theoretical and biological study of triorganotin(IV) Schiff base complexes derived from amino acids
Abstract
A new series of triorganotin(IV) complexes of monofunctional bidentate Schiff base have been synthesized and characterized through elemental analysis, conductance measurements, molecular weight determinations, UV-visible, multinuclear (1H, 13C, 119Sn) NMR spectroscopy, FT-IR, X-ray powder diffraction and theoretical calculations. On the basis of these techniques, it is proposed that the ligands are bounded to the tin atom through the azomethine nitrogen and carboxylate oxygen. The data reveal that triorganotin(IV) complexes have penta-coordination with trigonal bipyramidal geometry. Molecular modeling has been …show more content…
CHN analyses were carried out on a Perkin Elmer 2400 Elemental Analyser. The elemental and spectral analyses of synthesized compounds have been carried out at SAIF Punjab University, Chandigarh. The purity of compounds was checked on thin layers of silica gel in various non-aqueous solvent systems, e.g. benzene: ethylacetate (9:1), benzene: ethylacetate (8:2). Molecular weight determinations were carried out by the Rast camphor method. Molar conductance measurements were made in anhydrous dimethylformamide at 25±5 °C using a Systronics conductivity bride model 305. The electronic spectra were recorded in DMSO on a Thermo UV1 spectrophotometer. IR spectra were recorded on a Perkin Elmer Spectrum SP-2 Fourier transform spectrophotometer using KBr pellets (4000–400 cm−1). 1H and 13C NMR spectra were recorded on a Bruker Avance II (400 MHz) FTNMR spectrometer using DMSO-d6 as solvent at 400 MHz and 100 MHz, respectively. TMS was used as internal reference for 1H NMR and 13C NMR. The 119SnNMRspectra with proton noise decoupling were recorded on a Bruker Avance II spectrometer using dry DMSO as the solvent at 149.21 MHz and tetramethyltin (TMT) as an external standard. X-ray powder patterns were obtained with a SIEMENS D-5000 X-ray diffractometer using CuKα radiation (l = 1.5405984 Å) and setting of 30 kV and 15 mA. The geometry optimization of the compound (1b) and (2b) from the experimental structures was carried out with DFT method. B3LYP at 3-21G basis set was performed with the Gaussian 03 software package, and Gauss view visualization program [24] to conduct the DFT calculations. B3LYP methods at 3-21G calculation level were employed in investigation of the optimized molecular
Abstract
A new series of triorganotin(IV) complexes of monofunctional bidentate Schiff base have been synthesized and characterized through elemental analysis, conductance measurements, molecular weight determinations, UV-visible, multinuclear (1H, 13C, 119Sn) NMR spectroscopy, FT-IR, X-ray powder diffraction and theoretical calculations. On the basis of these techniques, it is proposed that the ligands are bounded to the tin atom through the azomethine nitrogen and carboxylate oxygen. The data reveal that triorganotin(IV) complexes have penta-coordination with trigonal bipyramidal geometry. Molecular modeling has been …show more content…
CHN analyses were carried out on a Perkin Elmer 2400 Elemental Analyser. The elemental and spectral analyses of synthesized compounds have been carried out at SAIF Punjab University, Chandigarh. The purity of compounds was checked on thin layers of silica gel in various non-aqueous solvent systems, e.g. benzene: ethylacetate (9:1), benzene: ethylacetate (8:2). Molecular weight determinations were carried out by the Rast camphor method. Molar conductance measurements were made in anhydrous dimethylformamide at 25±5 °C using a Systronics conductivity bride model 305. The electronic spectra were recorded in DMSO on a Thermo UV1 spectrophotometer. IR spectra were recorded on a Perkin Elmer Spectrum SP-2 Fourier transform spectrophotometer using KBr pellets (4000–400 cm−1). 1H and 13C NMR spectra were recorded on a Bruker Avance II (400 MHz) FTNMR spectrometer using DMSO-d6 as solvent at 400 MHz and 100 MHz, respectively. TMS was used as internal reference for 1H NMR and 13C NMR. The 119SnNMRspectra with proton noise decoupling were recorded on a Bruker Avance II spectrometer using dry DMSO as the solvent at 149.21 MHz and tetramethyltin (TMT) as an external standard. X-ray powder patterns were obtained with a SIEMENS D-5000 X-ray diffractometer using CuKα radiation (l = 1.5405984 Å) and setting of 30 kV and 15 mA. The geometry optimization of the compound (1b) and (2b) from the experimental structures was carried out with DFT method. B3LYP at 3-21G basis set was performed with the Gaussian 03 software package, and Gauss view visualization program [24] to conduct the DFT calculations. B3LYP methods at 3-21G calculation level were employed in investigation of the optimized molecular