Elaboration of electronically excited states of transition metal complexes via TR FTIR spectroscopy and TDDFT calculations
- The general aim of this work was to extend the existing TR FTIR spectrometer with a dye laser system and a 100 Hz laser system in order to photophysically investigate the properties of transition metal complexes. The different electronic states were calculated with (TD)DFT calculations and the theoretical spectra were simulated to interpret the spectra recorded in the experiment. The broad applicability, flexibility and reliability of TR-FTIR was demonstrated in this work. The different metal complexes, mostly with a copper centre, were successfully investigated for their structural and electronic properties and the results were compared with simulations from (TD)DFT calculations. This made it possible to deepen the understanding of the photophysical properties of these compounds and to make a valuable contribution within the scientific collaborations. The understanding of such processes enables the structural and chemical optimization and thus the realisation of the desired properties of the organometallic compounds as OLEDs or photosensitizers.
| Author: | Patrick Di Martino-Fumo |
|---|---|
| URN: | urn:nbn:de:hbz:386-kluedo-85357 |
| DOI: | https://doi.org/10.26204/KLUEDO/8535 |
| Advisor: | Gereon Niedner-Schatteburg |
| Document Type: | Doctoral Thesis |
| Cumulative document: | Yes |
| Language of publication: | English |
| Date of Publication (online): | 2024/12/06 |
| Year of first Publication: | 2024 |
| Publishing Institution: | Rheinland-Pfälzische Technische Universität Kaiserslautern-Landau |
| Granting Institution: | Rheinland-Pfälzische Technische Universität Kaiserslautern-Landau |
| Acceptance Date of the Thesis: | 2024/10/31 |
| Date of the Publication (Server): | 2024/12/06 |
| Page Number: | 143 |
| Faculties / Organisational entities: | Kaiserslautern - Fachbereich Chemie |
| DDC-Cassification: | 5 Naturwissenschaften und Mathematik / 540 Chemie |
| Licence (German): |
