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Photophysics and Photochemistry of a Bodipy‐based Photosensitizer : Quantumchemical Simulations - Karl Michael Ziems

Photophysics and Photochemistry of a Bodipy‐based Photosensitizer

Quantumchemical Simulations

Paperback Published: 6th May 2019
ISBN: 9783658261870
Number Of Pages: 139

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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.

ISBN: 9783658261870
ISBN-10: 3658261870
Series: Bestmasters
Audience: General
Format: Paperback
Language: English
Number Of Pages: 139
Published: 6th May 2019
Country of Publication: DE
Dimensions (cm): 21.01 x 14.81  x 0.84
Weight (kg): 0.2

Earn 232 Qantas Points
on this Book