Techert, Simone

[["dc.bibliographiccitation.artnumber","014301"],["dc.bibliographiccitation.issue","1"],["dc.bibliographiccitation.journal","Structural Dynamics"],["dc.bibliographiccitation.volume","5"],["dc.contributor.author","Amini, Kasra"],["dc.contributor.author","Savelyev, Evgeny"],["dc.contributor.author","Brauße, Felix"],["dc.contributor.author","Berrah, Nora"],["dc.contributor.author","Bomme, Cédric"],["dc.contributor.author","Brouard, Mark"],["dc.contributor.author","Burt, Michael"],["dc.contributor.author","Christensen, Lauge"],["dc.contributor.author","Düsterer, Stefan"],["dc.contributor.author","Erk, Benjamin"],["dc.contributor.author","Höppner, Hauke"],["dc.contributor.author","Kierspel, Thomas"],["dc.contributor.author","Krecinic, Faruk"],["dc.contributor.author","Lauer, Alexandra"],["dc.contributor.author","Lee, Jason W. L."],["dc.contributor.author","Müller, Maria"],["dc.contributor.author","Müller, Erland"],["dc.contributor.author","Mullins, Terence"],["dc.contributor.author","Redlin, Harald"],["dc.contributor.author","Schirmel, Nora"],["dc.contributor.author","Thøgersen, Jan"],["dc.contributor.author","Techert, Simone"],["dc.contributor.author","Toleikis, Sven"],["dc.contributor.author","Treusch, Rolf"],["dc.contributor.author","Trippel, Sebastian"],["dc.contributor.author","Ulmer, Anatoli"],["dc.contributor.author","Vallance, Claire"],["dc.contributor.author","Wiese, Joss"],["dc.contributor.author","Johnsson, Per"],["dc.contributor.author","Küpper, Jochen"],["dc.contributor.author","Rudenko, Artem"],["dc.contributor.author","Rouzée, Arnaud"],["dc.contributor.author","Stapelfeldt, Henrik"],["dc.contributor.author","Rolles, Daniel"],["dc.contributor.author","Boll, Rebecca"],["dc.date.accessioned","2019-07-09T11:45:24Z"],["dc.date.available","2019-07-09T11:45:24Z"],["dc.date.issued","2018"],["dc.description.abstract","We explore time-resolved Coulomb explosion induced by intense, extreme ultraviolet (XUV) femtosecond pulses from a free-electron laser as a method to image photo-induced molecular dynamics in two molecules, iodomethane and 2,6-difluoroiodobenzene. At an excitation wavelength of 267 nm, the dominant reaction pathway in both molecules is neutral dissociation via cleavage of the carbon-iodine bond. This allows investigating the influence of the molecular environment on the absorption of an intense, femtosecond XUV pulse and the subsequent Coulomb explosion process. We find that the XUV probe pulse induces local inner-shell ionization of atomic iodine in dissociating iodomethane, in contrast to non-selective ionization of all photofragments in difluoroiodobenzene. The results reveal evidence of electron transfer from methyl and phenyl moieties to a multiply charged iodine ion. In addition, indications for ultrafast charge rearrangement on the phenyl radical are found, suggesting that time-resolved Coulomb explosion imaging is sensitive to the localization of charge in extended molecules."],["dc.identifier.doi","10.1063/1.4998648"],["dc.identifier.pmid","29430482"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/15198"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/59224"],["dc.language.iso","en"],["dc.notes.intern","Merged from goescholar"],["dc.relation","info:eu-repo/grantAgreement/EC/FP7/238671/EU//ICONIC"],["dc.relation","info:eu-repo/grantAgreement/EC/H2020/641789/EU//MEDEA"],["dc.relation","info:eu-repo/grantAgreement/EC/FP7/614507/EU//COMOTION"],["dc.relation.issn","2329-7778"],["dc.relation.orgunit","Fakultät für Physik"],["dc.relation.orgunit","Institut für Röntgenphysik"],["dc.relation.workinggroup","RG Techert (Structural Dynamics in Chemical Systems)"],["dc.rights","CC BY 4.0"],["dc.rights.uri","https://creativecommons.org/licenses/by/4.0/"],["dc.subject.ddc","530"],["dc.title","Photodissociation of aligned CH3I and C6H3F2I molecules probed with time-resolved Coulomb explosion imaging by site-selective extreme ultraviolet ionization."],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","2138"],["dc.bibliographiccitation.issue","11"],["dc.bibliographiccitation.journal","Journal of The American Society for Mass Spectrometry"],["dc.bibliographiccitation.lastpage","2151"],["dc.bibliographiccitation.volume","29"],["dc.contributor.author","Egorov, Dmitrii"],["dc.contributor.author","Bari, Sadia"],["dc.contributor.author","Boll, Rebecca"],["dc.contributor.author","Dörner, Simon"],["dc.contributor.author","Deinert, Sascha"],["dc.contributor.author","Techert, Simone"],["dc.contributor.author","Hoekstra, Ronnie"],["dc.contributor.author","Zamudio-Bayer, Vicente"],["dc.contributor.author","Lindblad, Rebecka"],["dc.contributor.author","Bülow, Christine"],["dc.contributor.author","Timm, Martin"],["dc.contributor.author","von Issendorff, Bernd"],["dc.contributor.author","Lau, J. Tobias"],["dc.contributor.author","Schlathölter, Thomas"],["dc.date.accessioned","2019-07-09T11:50:55Z"],["dc.date.available","2019-07-09T11:50:55Z"],["dc.date.issued","2018"],["dc.description.abstract","We have investigated the photoionization and photofragmentation yields of gas-phase multiply protonated melittin cations for photon energies at the K-shell absorption edges of carbon, nitrogen, and oxygen. Two similar experimental approaches were employed. In both experiments, mass selected [melittin+qH]q+ (q=2-4) ions were accumulated in radiofrequency ion traps. The trap content was exposed to intense beams of monochromatic soft X-ray photons from synchrotron beamlines and photoproducts were analyzed by means of time-of-flight mass spectrometry. Mass spectra were recorded for fixed photon energies, and partial ion yield spectra were recorded as a function of photon energy. The combination of mass spectrometry and soft X-ray spectroscopy allows for a direct correlation of protein electronic structure with various photoionization channels. Non-dissociative single and double ionization are used as a reference. The contribution of both channels to various backbone scission channels is quantified and related to activation energies and protonation sites. Soft X-ray absorption mass spectrometry combines fast energy deposition with single and double ionization and could complement established activation techniques. Graphical Abstractᅟ."],["dc.identifier.doi","10.1007/s13361-018-2035-6"],["dc.identifier.pmid","30047073"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/16024"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/59852"],["dc.language.iso","en"],["dc.notes.intern","Merged from goescholar"],["dc.relation","info:eu-repo/grantAgreement/EC/FP7/312284/EU//CALIPSO"],["dc.relation.orgunit","Fakultät für Physik"],["dc.relation.orgunit","Institut für Röntgenphysik"],["dc.relation.workinggroup","RG Techert (Structural Dynamics in Chemical Systems)"],["dc.rights","CC BY 4.0"],["dc.rights.uri","https://creativecommons.org/licenses/by/4.0/"],["dc.subject.ddc","530"],["dc.title","Near-Edge Soft X-ray Absorption Mass Spectrometry of Protonated Melittin"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","3538"],["dc.bibliographiccitation.issue","12"],["dc.bibliographiccitation.journal","The Journal of Physical Chemistry Letters"],["dc.bibliographiccitation.lastpage","3543"],["dc.bibliographiccitation.volume","9"],["dc.contributor.author","Jay, Raphael M."],["dc.contributor.author","Norell, Jesper"],["dc.contributor.author","Eckert, Sebastian"],["dc.contributor.author","Hantschmann, Markus"],["dc.contributor.author","Beye, Martin"],["dc.contributor.author","Kennedy, Brian"],["dc.contributor.author","Quevedo, Wilson"],["dc.contributor.author","Schlotter, William F."],["dc.contributor.author","Dakovski, Georgi L."],["dc.contributor.author","Minitti, Michael P."],["dc.contributor.author","Hoffmann, Matthias C."],["dc.contributor.author","Mitra, Ankush"],["dc.contributor.author","Moeller, Stefan P."],["dc.contributor.author","Nordlund, Dennis"],["dc.contributor.author","Zhang, Wenkai"],["dc.contributor.author","Liang, Huiyang W."],["dc.contributor.author","Kunnus, Kristjan"],["dc.contributor.author","Kubiček, Katharina"],["dc.contributor.author","Techert, Simone A."],["dc.contributor.author","Lundberg, Marcus"],["dc.contributor.author","Wernet, Philippe"],["dc.contributor.author","Gaffney, Kelly"],["dc.contributor.author","Odelius, Michael"],["dc.contributor.author","Föhlisch, Alexander"],["dc.date.accessioned","2019-07-09T11:45:49Z"],["dc.date.available","2019-07-09T11:45:49Z"],["dc.date.issued","2018"],["dc.description.abstract","Soft X-ray spectroscopies are ideal probes of the local valence electronic structure of photocatalytically active metal sites. Here, we apply the selectivity of time-resolved resonant inelastic X-ray scattering at the iron L-edge to the transient charge distribution of an optically excited charge-transfer state in aqueous ferricyanide. Through comparison to steady-state spectra and quantum chemical calculations, the coupled effects of valence-shell closing and ligand-hole creation are experimentally and theoretically disentangled and described in terms of orbital occupancy, metal-ligand covalency, and ligand field splitting, thereby extending established steady-state concepts to the excited-state domain. π-Back-donation is found to be mainly determined by the metal site occupation, whereas the ligand hole instead influences σ-donation. Our results demonstrate how ultrafast resonant inelastic X-ray scattering can help characterize local charge distributions around catalytic metal centers in short-lived charge-transfer excited states, as a step toward future rationalization and tailoring of photocatalytic capabilities of transition-metal complexes."],["dc.identifier.doi","10.1021/acs.jpclett.8b01429"],["dc.identifier.pmid","29888918"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/15321"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/59314"],["dc.language.iso","en"],["dc.notes.intern","Merged from goescholar"],["dc.relation","SFB 1073: Kontrolle von Energiewandlung auf atomaren Skalen"],["dc.relation","SFB 1073 | Topical Area C | C02 In situ hochauflösende Untersuchung des aktiven Zustands bei der photo- und elektrochemischen Wasserspaltung"],["dc.relation.issn","1948-7185"],["dc.relation.orgunit","Fakultät für Physik"],["dc.relation.orgunit","Institut für Röntgenphysik"],["dc.relation.workinggroup","RG Techert (Structural Dynamics in Chemical Systems)"],["dc.subject.ddc","530"],["dc.title","Disentangling Transient Charge Density and Metal-Ligand Covalency in Photoexcited Ferricyanide with Femtosecond Resonant Inelastic Soft X-ray Scattering."],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.subtype","original_ja"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]