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
Research Output
- 13 Citations
- 6 Publications
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2024
Title Fluorinated Azobenzenes in UiO-66: Unveiling Unprecedented Photoswitching Stability and Efficiency in Azobenzene-Based Switch@MOF Systems DOI 10.1002/zaac.202400018 Type Journal Article Author Rödl M Journal Zeitschrift für anorganische und allgemeine Chemie Link Publication -
2025
Title Parametrization of Zirconium for DFTB3/3OB: A Pathway to Study Complex Zr-Compounds for Biomedical and Material Science Applications DOI 10.1002/jcc.70140 Type Journal Article Author Penz A Journal Journal of Computational Chemistry Link Publication -
2025
Title Structure–Function Correlation in Switchable DTE@MOF Hybrids: Tracking Local Dynamics and Fatigue Pathways DOI 10.1021/acs.jpcc.5c06348 Type Journal Article Author Ro¨Dl M Journal The Journal of Physical Chemistry C Pages 22179-22190 Link Publication -
2025
Title Resolving Dye Embedment in MOF-5: Multimodal Evidence for Perylene-Based Guest Encapsulation DOI 10.1002/adom.202501573 Type Journal Article Author Schüler F Journal Advanced Optical Materials Link Publication -
2025
Title Confinement-Driven Aggregate Formation of Photoacids within Porous Metal–Organic Frameworks DOI 10.1021/acsomega.4c09621 Type Journal Article Author Ro¨Dl M Journal ACS Omega Pages 4711-4721 Link Publication -
2024
Title Polarity profiling of porous architectures: solvatochromic dye encapsulation in metal–organic frameworks DOI 10.1039/d4tc01401d Type Journal Article Author Schwartz H Journal Journal of Materials Chemistry C Pages 8759-8776 Link Publication