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.

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Metadaten
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):Creative Commons 4.0 - Namensnennung, nicht kommerziell, keine Bearbeitung (CC BY-NC-ND 4.0)