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Article

Towards Understanding Excited-State Properties of Organic Molecules Using Time-Resolved Soft X-ray Absorption Spectroscopy

by
Holger Stiel
1,2,*,
Julia Braenzel
1,2,
Adrian Jonas
1,3,
Richard Gnewkow
1,3,4,
Lisa Theresa Glöggler
1,3,†,
Denny Sommer
2,
Thomas Krist
5,
Alexei Erko
6,
Johannes Tümmler
1,2 and
Ioanna Mantouvalou
1,3,4
1
Berlin Laboratory for Innovative X-ray Technologies (BLiX), D-10623 Berlin, Germany
2
Max-Born-Institut für Nichtlineare Optik und Kurzzeitspektroskopie, D-12489 Berlin, Germany
3
Analytical X-ray Physics, TU Berlin, D-10623 Berlin, Germany
4
Helmholtz Zentrum Berlin, D-12489 Berlin, Germany
5
NOB Nano Optics Berlin GmbH, D-10627 Berlin, Germany
6
IAP eV, D-12489 Berlin, Germany
*
Author to whom correspondence should be addressed.
†
Current address: Physics Department, CERN, 1211 Geneva, Switzerland.
Int. J. Mol. Sci. 2021, 22(24), 13463; https://doi.org/10.3390/ijms222413463
Submission received: 5 November 2021 / Revised: 1 December 2021 / Accepted: 8 December 2021 / Published: 15 December 2021
(This article belongs to the Special Issue Excited Electronic States of Organic Molecules–50 Years of an Interdisciplinary Research —A Tribute to Sir George Porter on the Occasion of His 100th Birthday)
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Abstract

The extension of the pump-probe approach known from UV/VIS spectroscopy to very short wavelengths together with advanced simulation techniques allows a detailed analysis of excited-state dynamics in organic molecules or biomolecular structures on a nanosecond to femtosecond time level. Optical pump soft X-ray probe spectroscopy is a relatively new approach to detect and characterize optically dark states in organic molecules, exciton dynamics or transient ligand-to-metal charge transfer states. In this paper, we describe two experimental setups for transient soft X-ray absorption spectroscopy based on an LPP emitting picosecond and sub-nanosecond soft X-ray pulses in the photon energy range between 50 and 1500 eV. We apply these setups for near-edge X-ray absorption fine structure (NEXAFS) investigations of thin films of a metal-free porphyrin, an aggregate forming carbocyanine and a nickel oxide molecule. NEXAFS investigations have been carried out at the carbon, nitrogen and oxygen K-edge as well as on the Ni L-edge. From time-resolved NEXAFS carbon, K-edge measurements of the metal-free porphyrin first insights into a long-lived trap state are gained. Our findings are discussed and compared with density functional theory calculations.
Keywords: NEXAFS; pump-probe; porphyrin; ultrafast X-ray absorption; pseudoisocyanine; TD-DFT NEXAFS; pump-probe; porphyrin; ultrafast X-ray absorption; pseudoisocyanine; TD-DFT

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MDPI and ACS Style

Stiel, H.; Braenzel, J.; Jonas, A.; Gnewkow, R.; Glöggler, L.T.; Sommer, D.; Krist, T.; Erko, A.; Tümmler, J.; Mantouvalou, I. Towards Understanding Excited-State Properties of Organic Molecules Using Time-Resolved Soft X-ray Absorption Spectroscopy. Int. J. Mol. Sci. 2021, 22, 13463. https://doi.org/10.3390/ijms222413463

AMA Style

Stiel H, Braenzel J, Jonas A, Gnewkow R, Glöggler LT, Sommer D, Krist T, Erko A, Tümmler J, Mantouvalou I. Towards Understanding Excited-State Properties of Organic Molecules Using Time-Resolved Soft X-ray Absorption Spectroscopy. International Journal of Molecular Sciences. 2021; 22(24):13463. https://doi.org/10.3390/ijms222413463

Chicago/Turabian Style

Stiel, Holger, Julia Braenzel, Adrian Jonas, Richard Gnewkow, Lisa Theresa Glöggler, Denny Sommer, Thomas Krist, Alexei Erko, Johannes Tümmler, and Ioanna Mantouvalou. 2021. "Towards Understanding Excited-State Properties of Organic Molecules Using Time-Resolved Soft X-ray Absorption Spectroscopy" International Journal of Molecular Sciences 22, no. 24: 13463. https://doi.org/10.3390/ijms222413463

APA Style

Stiel, H., Braenzel, J., Jonas, A., Gnewkow, R., Glöggler, L. T., Sommer, D., Krist, T., Erko, A., Tümmler, J., & Mantouvalou, I. (2021). Towards Understanding Excited-State Properties of Organic Molecules Using Time-Resolved Soft X-ray Absorption Spectroscopy. International Journal of Molecular Sciences, 22(24), 13463. https://doi.org/10.3390/ijms222413463

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