Get 20M+ Full-Text Papers For Less Than $1.50/day. Start a 14-Day Trial for You or Your Team.

Learn More →

DeepDyve requires Javascript to function. Please enable Javascript on your browser to continue.

Photophysics and Photochemistry of a BODIPY‐Based Photosensitizer

Part of the BestMasters Book Series

DOI: 10.1007/978-3-658-26188-7

ISBN: 978-3-658-26187-0

Publisher: Springer Fachmedien Wiesbaden - Springer Journals

Apr 24, 2019

LitStream

Chapter 1The Introduction

Ziems, Karl Michael

Pages: 1 –7

[Renewable and sustainable power sources are a key scientific and technological challenge in time of climate change and limitations of fossil fuels.]
LitStream

Chapter 2Theory

Ziems, Karl Michael

Pages: 9 –44

[The following chapter presents an overview of the used methods, as well as the underlying physical principles and approximations.]
LitStream

Chapter 3Computational Details

Ziems, Karl Michael

Pages: 45 –52

[In this chapter, the computational setups used for the quantum chemical calculations in this thesis are introduced. The active space will be discussed thoroughly. All methods and calculations were applied on the BODIPY dye introduced in chapter 1 and shown in Figure 1.5.]
LitStream

Chapter 4Results for non-reduced singlet system

Ziems, Karl Michael

Pages: 53 –74

[The preliminary step to asses the photochemistry of the present dye is to obtain insight into its initial photo-excitation in the Franck-Condon region, followed by possible relaxation mechanisms. This will be done for the non-reduced singlet and the singly reduced doublet system of the BODIPY.]
LitStream

Chapter 5Results for reduced doublet system

Ziems, Karl Michael

Pages: 75 –83

[A different possible approach to the entire two-component catalytic system is to start with the chemical reduction of the BODIPY dye by triethylamine. This results in a reduced BODIPY structure with a doublet (B2) ground state. Subsequent excitation can populate excited dissociative...
LitStream

Chapter 6Conclusion

Ziems, Karl Michael

Pages: 85 –87

[As stated in the introduction the goals of this thesis were i) the method benchmark, namely for TDDFT vs. RASPT2, ii) to unravel the nature of the photo-induced catalytic mechanism and iii) to obtain insight into the photochemistry of the dye, as well as iv) the identification of unwanted...
LitStream

Chapter 7Summary

Ziems, Karl Michael

Pages: 89 –91

[In the presented work quantum chemical methods were applied to investigate the mechanism of a two-component solar hydrogen-generating system with a BODIPY dye as photosensitizer, [Pd(PPh3)Cl2]2 as precursor for catalytically-active palladium nanoparticles, and TEA as sacrificial electron donor....
LitStream

Chapter 8Zusammenfassung

Ziems, Karl Michael

Pages: 93 –95

[In der vorliegenden Arbeit wurden quantenchemische Methoden verwendet, um den Mechanismus eines Zwei-Komponenten Katalysesystem zur licht-induzierten Wasserspaltung, bestehend aus einem BODIPY Farbstoff als Photosensibilisator, [Pd(PPh3)Cl2]2 als Vorstufe zu katalytisch-aktiven Pd-Nanopartikeln...

results per page

Prev
1
Next

Browse All eBooks