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

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dc.contributor.authorStiel, Holger
dc.contributor.authorBraenzel, Julia
dc.contributor.authorJonas, Adrian
dc.contributor.authorGnewkow, Richard
dc.contributor.authorGlöggler, Lisa Theresa
dc.contributor.authorSommer, Denny
dc.contributor.authorKrist, Thomas
dc.contributor.authorErko, Alexei
dc.contributor.authorTümmler, Johannes
dc.contributor.authorMantouvalou, Ioanna
dc.date.accessioned2022-10-10T11:19:38Z
dc.date.available2022-10-10T11:19:38Z
dc.date.issued2021-12-15
dc.date.updated2022-09-03T17:30:30Z
dc.description.abstractThe 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.
dc.description.sponsorshipDFG, 313838950, Neuartiges Laborspektrometer für Pump-Probe NEXAFS-Untersuchungen an Biomolekülen in wässriger Lösung
dc.description.sponsorshipEC/H2020/871124/EU/The Integrated Initiative of European Laser Research Infrastructures/LASERLAB-EUROPE
dc.identifier.eissn1422-0067
dc.identifier.issn1661-6596
dc.identifier.urihttps://depositonce.tu-berlin.de/handle/11303/17563
dc.identifier.urihttps://doi.org/10.14279/depositonce-16344
dc.language.isoen
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subject.ddc540 Chemie und zugeordnete Wissenschaftende
dc.subject.otherNEXAFS
dc.subject.otherpump-probe
dc.subject.otherporphyrin
dc.subject.otherultrafast X-ray absorption
dc.subject.otherpseudoisocyanine
dc.subject.otherTD-DFT
dc.titleTowards Understanding Excited-State Properties of Organic Molecules Using Time-Resolved Soft X-ray Absorption Spectroscopy
dc.typeArticle
dc.type.versionpublishedVersion
dcterms.bibliographicCitation.articlenumber13463
dcterms.bibliographicCitation.doi10.3390/ijms222413463
dcterms.bibliographicCitation.issue24
dcterms.bibliographicCitation.journaltitleInternational Journal of Molecular Sciences
dcterms.bibliographicCitation.originalpublishernameMDPI
dcterms.bibliographicCitation.originalpublisherplaceBasel
dcterms.bibliographicCitation.volume22
tub.accessrights.dnbfree
tub.affiliationFak. 2 Mathematik und Naturwissenschaften::Inst. Optik und Atomare Physik::FG Analytische Röntgenphysik
tub.publisher.universityorinstitutionTechnische Universität Berlin

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