Derivatisierung organisch funktionalisierter Zinnchalkogenid-Cluster

Based on functional organotin trichloride compounds, RSnCl3, functional binary organotin chalcogenide compounds of the general formula [(RSn)xEz] and ternary coinage metal organotin chalcogenide compounds of the general formula [(RSn)xMyEz] were obtained (R = functionalized organic ligand; E = S, Se, Te; M = coinage metal). Reactions of the organic substituents, R, with organic molecules of complementary reactivity, Rx, allowed for the postfunctionalization of the compounds. The molecular structure of nearly all compounds was determined via single crystal X-ray diffraction experiments. Additionally the compounds were characterized by means of 1H-, 13C-, 77Se-, 119Sn-, and 125Te-NMR spectroscopy, EDX, UV/Vis-, IR-, and Raman-spectroscopy as well as ESI(+) mass spectrometry. The thermal behavior was investigated via TGA and DSC experiments. DFT calculations complemented the experimental results. Subjects of these investigations were the calculation of reaction energies, natural charges via NPA and NMR chemical shifts as well as time dependent DFT calculations (TD-DFT) of the singlet and triplet excitation energies of selected compounds.