Chemistry with Relativity: Einflüsse relativistischer Effekte auf die Chemie schwerer Elemente

在过去的几年里，对化学中的相对论效应进行彻底的理论处理已经奠定了基础。相比之下，实验工作远远落后于理论化学的发展，除了金之外，没有对其他5和6行元素的系统研究。为了缩小这一差距，实验研究需要以系统的方式扩展到金以外的其他重元素。为了充分评价相对性在化学中的影响，实验和理论应以独特的方式结合在这项研究方案中。最后，这应该会导致对相对论如何影响化学的更广泛的理解。“相对论化学”意味着研究价轨道能量移动到什么程度，这如何影响元素形成化合物的能力，影响化合物的性质，以及化学中的一般趋势、趋势和经验规则如何被违反。需要研究的问题包括d-S-p轨道能量分离(铊)、p能级分裂(铋)和金属-金属相互作用以及扩展结构(过渡金属和主族金属)。研究了新材料的化学和物理性质。将进行理论研究来解释这些性质，并调查相对论的影响。

In the past years the foundations for a thorough theoretical treatment of relativistic effects in chemistry have been laid. In contrast, the experimental work lacks well behind the developments in theoretical chemistry, and except for gold no systematic studies are available for other 5 and 6 row elements. In order to close this gap the experimental studies need to be extended in a systematic way onto other heavy elements than gold. To fully evaluate the impact of relativity in chemistry, experiment and theory shall be combined in this research proposal in a unique way. This, finally, should lead to a more general understanding how relativity affects chemistry. "Chemistry with relativity" means to investigate to what extent valence orbital energies shift, how this affects the ability of elements to form compounds, influences the compound properties and how general trends, tendencies and thumb rules in chemistry get violated. Problems to be investigated include d-s-p-orbital energy separation (thallium), p-level splitting (bismuth) and metal-metal interactions in complexes and extended structures (transition and main group metals). New materials are studied with respect to their chemical and physical properties. Theoretical studies will be carried out to interpret these properties and investigate the influence of relativity.