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BestMasters

Photophysics and Photochemistry of a BODIPY‐Based Photosensitizer

Quantumchemical Simulations

Authors: Ziems, Karl Michael

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  • Publication in the field of natural sciences

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  • ISBN 978-3-658-26188-7
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Softcover $74.99
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About this book

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.

About the authors

Karl Michael Ziems obtained his Master of Science in chemistry at the Friedrich Schiller University Jena, and conducted his Master’s thesis in the field of quantum chemistry. Currently, he studies theoretical and computational chemistry at the University of Oxford.

Table of contents (8 chapters)

Table of contents (8 chapters)

Buy this book

eBook $59.99
price for USA in USD (gross)
  • ISBN 978-3-658-26188-7
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Softcover $74.99
price for USA in USD
  • ISBN 978-3-658-26187-0
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Photophysics and Photochemistry of a BODIPY‐Based Photosensitizer
Book Subtitle
Quantumchemical Simulations
Authors
Series Title
BestMasters
Copyright
2019
Publisher
Springer Spektrum
Copyright Holder
Springer Fachmedien Wiesbaden GmbH, part of Springer Nature
eBook ISBN
978-3-658-26188-7
DOI
10.1007/978-3-658-26188-7
Softcover ISBN
978-3-658-26187-0
Series ISSN
2625-3577
Edition Number
1
Number of Pages
XIII, 139
Number of Illustrations
1 b/w illustrations
Topics