Dokument-ID Dokumenttyp Verfasser/Autoren Herausgeber Haupttitel Abstract Auflage Verlagsort Verlag Erscheinungsjahr Seitenzahl Schriftenreihe Titel Schriftenreihe Bandzahl ISBN Quelle der Hochschulschrift Konferenzname Quelle:Titel Quelle:Jahrgang Quelle:Heftnummer Quelle:Erste Seite Quelle:Letzte Seite URN DOI Abteilungen OPUS4-54801 Wissenschaftlicher Artikel Wolf, Thomas J. A.; Holzmeier, Fabian; Wagner, Isabella; Berrah, Nora; Bostedt, Christoph; Bozek, John; Bucksbaum, Phil; Coffee, Ryan; Cryan, James; Farrell, Joe; Feifel, Raimund; Martinez, Todd J.; McFarland, Brian; Mucke, Melanie; Nandi, Saikat; Tarantelli, Francesco; Fischer, Ingo; Gühr, Markus Observing Femtosecond Fragmentation Using Ultrafast X-ray-Induced Auger Spectra Molecules often fragment after photoionization in the gas phase. Usually, this process can only be investigated spectroscopically as long as there exists electron correlation between the photofragments. Important parameters, like their kinetic energy after separation, cannot be investigated. We are reporting on a femtosecond time-resolved Auger electron spectroscopy study concerning the photofragmentation dynamics of thymine. We observe the appearance of clearly distinguishable signatures from thymines neutral photofragment isocyanic acid. Furthermore, we observe a time-dependent shift of its spectrum, which we can attribute to the influence of the charged fragment on the Auger electron. This allows us to map our time-dependent dataset onto the fragmentation coordinate. The time dependence of the shift supports efficient transformation of the excess energy gained from photoionization into kinetic energy of the fragments. Our method is broadly applicable to the investigation of photofragmentation processes. Basel MDPI 2017 11 Applied sciences 7 7 10.3390/app7070681 Institut für Chemie OPUS4-52441 Wissenschaftlicher Artikel Holzmeier, Fabian; Wolf, Thomas J. A.; Gienger, Christian; Wagner, Isabella; Bozek, J.; Nandi, S.; Nicolas, C.; Fischer, Ingo; Gühr, Markus; Fink, Reinhold F. Normal and resonant Auger spectroscopy of isocyanic acid, HNCO In this paper, we investigate HNCO by resonant and nonresonant Auger electron spectroscopy at the K-edges of carbon, nitrogen, and oxygen, employing soft X-ray synchrotron radiation. In comparison with the isosteric but linear CO2 molecule, spectra of the bent HNCO molecule are similar but more complex due to its reduced symmetry, wherein the degeneracy of the π-orbitals is lifted. Resonant Auger electron spectra are presented at different photon energies over the first core-excited 1s → 10a′ resonance. All Auger electron spectra are assigned based on ab initio configuration interaction computations combined with the one-center approximation for Auger intensities and moment theory to consider vibrational motion. The calculated spectra were scaled by a newly introduced energy scaling factor, and generally, good agreement is found between experiment and theory for normal as well as resonant Auger electron spectra. A comparison of resonant Auger spectra with nonresonant Auger structures shows a slight broadening as well as a shift of the former spectra between −8 and −9 eV due to the spectating electron. Since HNCO is a small molecule and contains the four most abundant atoms of organic molecules, the reported Auger electron decay spectra will provide a benchmark for further theoretical approaches in the computation of core electron spectra. Melville American Institute of Physics 2018 13 The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr 149 3 10.1063/1.5030621 Institut für Physik und Astronomie OPUS4-40268 Wissenschaftlicher Artikel Wolf, Thomas J. A.; Holzmeier, Fabian; Wagner, Isabella; Berrah, Nora; Bostedt, Christoph; Bozek, John; Bucksbaum, Philip H.; Coffee, Ryan; Cryan, James; Farrell, Joe; Feifel, Raimund; Martinez, Todd J.; McFarland, Brian; Mucke, Melanie; Nandi, Saikat; Tarantelli, Francesco; Fischer, Ingo; Gühr, Markus Observing Femtosecond Fragmentation Using Ultrafast X-ray-Induced Auger Spectra Molecules often fragment after photoionization in the gas phase. Usually, this process can only be investigated spectroscopically as long as there exists electron correlation between the photofragments. Important parameters, like their kinetic energy after separation, cannot be investigated. We are reporting on a femtosecond time-resolved Auger electron spectroscopy study concerning the photofragmentation dynamics of thymine. We observe the appearance of clearly distinguishable signatures from thymine′s neutral photofragment isocyanic acid. Furthermore, we observe a time-dependent shift of its spectrum, which we can attribute to the influence of the charged fragment on the Auger electron. This allows us to map our time-dependent dataset onto the fragmentation coordinate. The time dependence of the shift supports efficient transformation of the excess energy gained from photoionization into kinetic energy of the fragments. Our method is broadly applicable to the investigation of photofragmentation processes. Basel MDPI 2017 Applied Sciences 7 7 10.3390/app7070681 Institut für Physik und Astronomie OPUS4-40269 misc Wolf, Thomas J. A.; Holzmeier, Fabian; Wagner, Isabella; Berrah, Nora; Bostedt, Christoph; Bozek, John; Bucksbaum, Philip H.; Coffee, Ryan; Cryan, James; Farrell, Joe; Feifel, Raimund; Martinez, Todd J.; McFarland, Brian; Mucke, Melanie; Nandi, Saikat; Tarantelli, Francesco; Fischer, Ingo; Gühr, Markus Observing Femtosecond Fragmentation Using Ultrafast X-ray-Induced Auger Spectra Molecules often fragment after photoionization in the gas phase. Usually, this process can only be investigated spectroscopically as long as there exists electron correlation between the photofragments. Important parameters, like their kinetic energy after separation, cannot be investigated. We are reporting on a femtosecond time-resolved Auger electron spectroscopy study concerning the photofragmentation dynamics of thymine. We observe the appearance of clearly distinguishable signatures from thymine′s neutral photofragment isocyanic acid. Furthermore, we observe a time-dependent shift of its spectrum, which we can attribute to the influence of the charged fragment on the Auger electron. This allows us to map our time-dependent dataset onto the fragmentation coordinate. The time dependence of the shift supports efficient transformation of the excess energy gained from photoionization into kinetic energy of the fragments. Our method is broadly applicable to the investigation of photofragmentation processes. 2017 11 urn:nbn:de:kobv:517-opus4-402692 Institut für Physik und Astronomie