Disciplines
Chemistry (20%); Computer Sciences (25%); Physics, Astronomy (25%); Materials Engineering (30%)
Keywords
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Structure-Property Relation,
Photoswitches,
Porous Materials,
Ssnmr,
Total-Scattering,
MD simulations
Molecules that can be switched by exposure to electromagnetic radiation and thus change their color are particularly interesting with regard to their optical properties in the solid state. Normally, this photoswitching only takes place in solution, since in pure solid matter there is not enough space for the light-induced structural changes of the molecule. Depending on the type of solvent, this results in different optical properties, which are reflected, for example, in different colors or in electrical and magnetic properties of the photoswitches. In combination with a porous host matrix such as metal- organic framework compounds (= MOFs), the transfer of the photoswitching process to the solid state is successful. In order to understand the interactions of the photoswitches with the MOFs and thus also to be able to understand and, above all, specifically tune the resulting optical properties of the overall material, the nature of the interactions between the individual components must be understood. In this project, these interactions will be determined by combining various analytical methods with modelling, and these findings will be used in a next step for the targeted synthesis of photoswitch-MOF hybrid systems (= PS@MOF) with desired properties. Due to the complexity of these hybrid systems (partially amorphous and dynamic), standard methods cannot be applied. The goal of this project is to develop a robust analysis workflow that combines experimental and theoretical methods to fully characterize PS@MOF hybrid systems and structurally derive the structure-property relationships. This knowledge will then be used to adapt synthesis strategies for a systematic design of such functional materials and to extend those to any systems consisting of two or more components.
- Universität Innsbruck - 100%
- Heidi Annemarie Schwartz, Universität Innsbruck , former principal investigator