Photoinduced functionality of molecular assemblies modulated by their dynamics in a material

  • Speaker:

    Mariana Kozlowska (Karlsruhe Institute of Technology)

  • Time:

    09:00 - 09:30

  • Abstract

     

    Mariana Kozlowska

     

    Karlsruhe Institute of Technology

     

    An interesting concept, permitting the study of a variety of new photophysical phenomena is based on the assembly of modulated light- and electron-responsive materials. Three-dimensional structure of such materials is often driven by noncovalent interactions that control intermolecular interaction patterns and condensed state geometries.[1,2] However, the resultant optoelectronic response may also be significantly impacted by the vibrational flexibility of molecules in an assembly. The prediction of noncovalent interactions, the control of supramolecular assembly and the consideration of materials’ dynamics are challenging, limiting further modification of molecules for new materials with desired photoinduced properties.

     

    In my talk, I will demonstrate the application of multiscale modeling and automated workflow tools for understanding the assembly of functional organic molecules in pillar-layered and surface-anchored metal-organic frameworks.[3,4] I will explain the prediction of their photoconductive, photoswitchable and chiroptical properties, as well as the molecular bases of light-induced phenomena and the influence of noncovalent interactions and molecular motions. [1,4,5]

    [1] Haldar, R.; Kozlowska, M.; Ganschow, M.; Ghosh, S.; Jakoby, M.; Chen, H.; Ghalami, F.; Xie, W.; Heidrich, S.; Tsutsui, Y.; Seki, S.; Howard, I.A.; Richards, B.S.; Bunz, U.; Elstner, M.; Wenzel, W.; Wöll, C., Chem. Sci. 2021, 12, 4477-4483.

     

    [2] Haldar, R.; Jakoby, M.; Kozlowska, M.; Khan, M.R.; Chen, H.; Pramudya, Y.; Richards, B.S.; Heinke,L.; Wenzel, W.; Odobel, F.; Diring, S.; Howard, I.A.; Lemmer, U.; Wöll, C., Chem. Eur. J. 2020, 26, 17016-17020.

     

    [3] Mostaghimi, M.; Rêgo, C. R. C.; Haldar, R.; Wöll, C.; Wenzel, W.; Kozlowska, M., Front. Mater. 2022, 9, 840644.

     

    [4] Mostaghimi, M.; Pacheco Hernandez, H.; Jiang, Y.; Wenzel, W.; Heinke, L.; Kozlowska, M., Commun. Chem. 2023, 6, 275.

     

    [5] Li, C.; Schopmans, H.; Langer, L.; Marschner, S.; Chandresh, A.; Bürck, J.; Tsuchiya, Y.; Chihaya, A.; Wenzel, W.; Bräse, S.; Kozlowska, M.; Heinke, L., Angew. Chem. Int. Ed., 2023, 62 (10), e202217377.