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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Photophysics and Photochemistry of a Bodipy‐based Photosensitizer: Quantumchemical Simulations

Photophysics and Photochemistry of a Bodipy‐based Photosensitizer: Quantumchemical Simulations

Ziems, Karl Michael

Paperback

Series: Bestmasters

Technology & EngineeringChemistryGeneral Science

ISBN10: 3658261870
ISBN13: 9783658261870
Publisher: Springer Spektrum
Published: May 6 2019
Pages: 139
Weight: 0.43
Height: 0.33 Width: 5.83 Depth: 8.27
Language: English
Karl Michael Ziems investigates a meso-mesityl-2,6-Iodine substituted Boron Dipyrromethene (BODIPY) dye regarding its functionality as photosensitizer in a two-component light-driven hydrogen evolution. The author uses quantum chemical calculations performed at the time-dependent density functional (TDDFT) and multi-state restricted active space perturbation theory through second-order (MS-RASPT2) level of theory. The light-induced processes associated with the formation of the active photosensitizer, i.e., by means of charge separation, as well as the population of undesired degradative pathways are elucidated. Hereby, the two proposed and investigated mechanisms are based on a heavy atom effect of iodine in the (excited) singlet/triplet manifold and preliminary reduction (of the dye) by a sacrificial electron donor and subsequent photoexcitation.

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