Heavy main group elements as dispersion energy donors - experimental and theoretical studies of bismuth compounds with bismuth-pi-interactions as structure determining component

点击翻译按钮获取中文摘要

In the framework of this project and based on our previous results we aim at achieving the following objectives: In order to assess and extend the general principles for heavy main group element interactions derived in the first funding period, we will systematically extend the molecular libraries of structurally related compounds. These novel compounds will be the basis for high-level electronic structure calculations in order to supplement the experimental results and rationalize the basic influences in complex structures. In addition to crystal structure analysis and PXRD, spectroscopy should be used as a probe for weak molecular interactions with heavy main group elements. For this purpose, we will increase our efforts in the search for sensitive spectroscopic techniques that will complement the experimental and computational work. Here, techniques like NMR and Raman/IR spectroscopy will be explored in more detail. To further quantify the bonding energy for dispersion type interactions, dispersion-type driven control of polymorphism will be analysed. Furthermore, the dimeric, dispersion type driven structural motif of triorganobismuth compounds BiAr3 will be tested for its potential as building unit in supramolecular chemistry.