Print Email Facebook Twitter Excited state dynamics of BODIPY-based acceptor-donor-acceptor systems Title Excited state dynamics of BODIPY-based acceptor-donor-acceptor systems: a combined experimental and computational study Author Wei, Z. (TU Delft ChemE/Opto-electronic Materials) Sharma, Sushil (Indian Institute of Science Education andResearch (IISER), Mohali) Philip, A.M. (TU Delft ChemE/Opto-electronic Materials) Sengupta, Sanchita (Indian Institute of Science Education andResearch (IISER), Mohali) Grozema, F.C. (TU Delft ChemE/Opto-electronic Materials) Date 2021 Abstract Donor-bridge-acceptor systems based on boron dipyrromethene (BODIPY) are attractive candidates for bio-imagining and sensing applications because of their sensitivity to temperature, micro-viscosity and solvent polarity. The optimization of the properties of such molecular sensors requires a detailed knowledge of the relation between the structure and the photophysical behavior in different environments. In this work we have investigated the excited-state dynamics of three acceptor-donor-acceptor molecules based on benzodithiophene and BODIPY in solvents of different polarities using a combination of ultrafast spectroscopy and DFT-based electronic structure calculations. Transient absorption spectra show that upon photoexcitation an initial excited species with an induced absorption band in the near-infrared regime is formed independent of the solvent polarity. The subsequent photophysical processes strongly depend on the solvent polarity. In non-polar toluene this initial excited state undergoes a structural relaxation leading to a delocalized state with partial charge transfer character, while in the more polar tetrahydrofuran a fully charge separated state is formed. The results clearly show how factors such as donor-acceptor distance and restricted rotational motion by steric hindrance can be used to tune the excited state photophysics to optimize such systems for specific applications. To reference this document use: http://resolver.tudelft.nl/uuid:c817eb05-7722-4cc5-89ba-5c936b37dd6d DOI https://doi.org/10.1039/d1cp00453k ISSN 1463-9076 Source Physical chemistry chemical physics (PCCP), 23 (14), 8900-8907 Part of collection Institutional Repository Document type journal article Rights © 2021 Z. Wei, Sushil Sharma, A.M. Philip, Sanchita Sengupta, F.C. Grozema Files PDF d1cp00453k.pdf 3.26 MB Close viewer /islandora/object/uuid:c817eb05-7722-4cc5-89ba-5c936b37dd6d/datastream/OBJ/view