title: Four coordinate tin complexes: synthesis, characterization, thermodynamic and theoretical calculations.
abstract: In this work, two new Sn(IV) complexes, [SnL(x)]Cl2 where (L(x))(2-) is the deprotonated form of 5-A-salabza-H2=N,N'-bis(salicylidene)-2-aminobenzylamine and A=5-OMe, 5-H, 5-NO2, 5-Br, were synthesized and fully characterized by UV-Vis, FT-IR, (1)H NMR, (13)C NMR, (119)Sn NMR spectroscopies, mass spectrometry and elemental analysis. The thermodynamic formation constants of the complexes were determined spectrophotometrically at 25 °C in acetonitrile. The trend of formation constants of the complexes are as: 5-OMe>5-H>5-NO2>5-Br and Ph2SnCl2>Me2SnCl2>n-Bu2SnCl2. DFT/B3LYP molecular orbital calculations were carried out for the 5-H substituent isomer, [SnL(2)](2+), in an attempt to explain the structure of complexes. The optimized resulting geometries, vibrational frequencies and the NMR resonances of the complexes are discussed.
authors.affiliation: Faculty of Chemistry, Kharazmi University, Tehran, Iran. Electronic address: mohammadikish@khu.ac.ir.
authors.forename: Maryam
authors.initials: M
authors.lastname: Mohammadikish
mesh_terms: D056831:Coordination Complexes / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008962:Models, Theoretical; D015394:Molecular Structure; D013056:Spectrophotometry, Ultraviolet; D017550:Spectroscopy, Fourier Transform Infrared; D013816:Thermodynamics; D017971:Tin Compounds / Q000737:chemistry*
chemical_list: D056831:Coordination Complexes; D017971:Tin Compounds
keywords: DFT calculations; Formation constants; Schiff base; Sn(IV) complex; Thermodynamics