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Kinetic-Model-Free Analysis of Transient Absorption Spectra Enabled by 2D Correlation Analysis

Titelangaben

Hniopek, Julian ; Müller, Carolin ; Bocklitz, Thomas ; Schmitt, Michael ; Dietzek, Benjamin ; Popp, Jürgen:
Kinetic-Model-Free Analysis of Transient Absorption Spectra Enabled by 2D Correlation Analysis.
In: The Journal of Physical Chemistry Letters. Bd. 12 (2021) Heft 17 . - S. 4148-4153.
ISSN 1948-7185
DOI: https://doi.org/10.1021/acs.jpclett.1c00835

Abstract

Here, we present, to the best of our knowledge for the first time, a systematic study of utilizing 2D correlation analysis in the field of femtosecond transient absorption (fs-TA) spectroscopy. We present that the application of 2D correlation spectroscopy (2DCOS) to fs-TA spectroscopy enables a model-free means to analyze excited state kinetics, which is demonstrated on the model system [(tbbpy)2Ru(dppz)]2+ in different solvents. We show that TA-2DCOS is able to determine the number of processes contributing to the time-resolved spectral changes in fs-TA data sets, as well as extract the spectral response of these components. Overall, the results show that TA-2DCOS leads to the same results as obtained with methods relying on global lifetime analysis or multivariate curve resolution but without the need to specify a predetermined kinetic model. The work presented therefore highlights the potential of TA-2DCOS as a model-free approach for analyzing fs-TA spectral data sets.

Weitere Angaben

Publikationsform: Artikel in einer Zeitschrift
Begutachteter Beitrag: Ja
Institutionen der Universität: Fakultäten > Fakultät für Mathematik, Physik und Informatik > Institut für Informatik > Lehrstuhl Künstliche Intelligenz in der Mikroskopie und Spektroskopie > Lehrstuhl Künstliche Intelligenz in der Mikroskopie und Spektroskopie - Univ.-Prof. Dr. Thomas Wilhelm Bocklitz
Titel an der UBT entstanden: Nein
Themengebiete aus DDC: 000 Informatik,Informationswissenschaft, allgemeine Werke > 004 Informatik
500 Naturwissenschaften und Mathematik > 530 Physik
Eingestellt am: 11 Mai 2023 12:19
Letzte Änderung: 11 Mai 2023 12:19
URI: https://eref.uni-bayreuth.de/id/eprint/76401