Beschreibung:
The thesis presents different approaches to obtain benchmarkable data from (quantum) crystallographic methods. In a first approach, it tackled structure - fluorescence relationships in anthracene derivates with a focus on developing an automated determination of structural properties for this class of compounds. Secondly, it investigated the solid-state structure of decamethylsilicocene and presented an analysed a hitherto unknown phase transition of this compound. The low-temperature structure shows only bend molecule thereby showing that the behaviour is in line with the heavier analogues...