Synthesis of the anisobidentate compound bis(2-amino-cyclopent-1-ene-carbodithioate)diethyltin (IV). Experimental and theoretical study

The bis(2-amino-1-cyclopentenecarbodithioate)diethyltin (IV) compound (1) was synthesized by reacting diethyltin (IV) chloride with two equivalents of sodium 2-amino-1-cyclopentenecarbodithioate. The structure of (1) was determined by FT-IR and multinuclear magnetic resonance (1H, 13C, 119Sn) spectroscopy, mass spectrometry and X-ray diffraction methods. The geometry obtained around Tin is a skewed trapezoidal bipyramid with both organic residues in mutual trans-positions. To study the coordination of Tin, theoretical calculations at Hartree–Fock (HF) level were carried out. Results for relativistic, quasi-relativistic and non-relativistic pseudopotentials are reported. The concept of local bond order is defined and applied to quantify the weak local interaction between the thiocarbonyl sulfur atom and Tin.