Journal ArticleDOI
Single Photon K − 2 and K − 1 K − 1 Double Core Ionization in C 2 H 2 n ( n = 1 – 3 ), CO, and N 2 as a Potential New Tool for Chemical Analysis
M. Nakano,Francis Penent,Francis Penent,Motomichi Tashiro,Tasko P. Grozdanov,Matjaž Žitnik,Stéphane Carniato,Stéphane Carniato,P. Selles,P. Selles,Lidija Andric,Lidija Andric,Pascal Lablanquie,Pascal Lablanquie,Jérôme Palaudoux,Jérôme Palaudoux,Eiji Shigemasa,H. Iwayama,Yasumasa Hikosaka,Kouichi Soejima,Isao H. Suzuki,Noriyuki Kouchi,K. Ito +22 more
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TLDR
The cross section variation for single photon K(-1)K (-1) double core ionization in the C(2)H(2n) sequence and in the isoelectronic C(1-3) hydrocarbon sequence, N (2) and CO molecules validates a knock-out mechanism in which a primary ionized 1s photoelectron ejects another 1s electron of the neighbor atom.Abstract:
We have observed single photon double $K$-shell photoionization in the ${\mathrm{C}}_{2}{\mathrm{H}}_{2n}$ ($n=1--3$) hydrocarbon sequence and in ${\mathrm{N}}_{2}$ and CO, using synchrotron radiation and electron coincidence spectroscopy. Our previous observations of the ${K}^{\ensuremath{-}2}$ process in these molecules are extended by the observations of a single photon double photoionization with one core hole created at each of the two neighboring atoms in the molecule (${K}^{\ensuremath{-}1}{K}^{\ensuremath{-}1}$ process). In the ${\mathrm{C}}_{2}{\mathrm{H}}_{2n}$ sequence, the spectroscopy of ${K}^{\ensuremath{-}1}{K}^{\ensuremath{-}1}$ states is much more sensitive to the bond length than conventional electron spectroscopy for chemical analysis spectroscopy based on single $K$-shell ionization. The cross section variation for single photon ${K}^{\ensuremath{-}1}{K}^{\ensuremath{-}1}$ double core ionization in the ${\mathrm{C}}_{2}{\mathrm{H}}_{2n}$ sequence and in the isoelectronic ${\mathrm{C}}_{2}{\mathrm{H}}_{2}$, ${\mathrm{N}}_{2}$ and CO molecules validates a knock-out mechanism in which a primary ionized $1s$ photoelectron ejects another $1s$ electron of the neighbor atom. The specific Auger decay from such states is clearly observed in the CO case.read more
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Highly Accurate Prediction of Core Spectra of Molecules at Density Functional Theory Cost: Attaining Sub-electronvolt Error from a Restricted Open-Shell Kohn–Sham Approach
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Pulse Duration of Seeded Free-Electron Lasers
Paola Finetti,Hauke Höppner,Enrico Allaria,Carlo Callegari,Flavio Capotondi,Paolo Cinquegrana,Marcello Coreno,Riccardo Cucini,Miltcho B. Danailov,Alexander Demidovich,Giovanni De Ninno,Michele Di Fraia,Raimund Feifel,Eugenio Ferrari,Lars Fröhlich,David Gauthier,Torsten Golz,Cesare Grazioli,Yun Kai,G. Kurdi,Nicola Mahne,Michele Manfredda,Nikita Medvedev,Ivaylo Nikolov,Emanuele Pedersoli,Giuseppe Penco,Oksana Plekan,Mark J. Prandolini,Kevin C. Prince,Lorenzo Raimondi,P. Rebernik,R. Riedel,Eléonore Roussel,Paolo Sigalotti,Richard J. Squibb,Nikola Stojanovic,Stefano Stranges,Cristian Svetina,T. Tanikawa,Ulrich Teubner,Victor Tkachenko,Sven Toleikis,Marco Zangrando,Beata Ziaja,Franz Tavella,Luca Giannessi +45 more
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Modeling of the spectroscopy of core electrons with density functional theory
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Journal ArticleDOI
Overview of options for generating high-brightness attosecond x-ray pulses at free-electron lasers and applications at the European XFEL
Svitozar Serkez,Gianluca Geloni,Sergey Tomin,G Feng,Elena V. Gryzlova,Alexei N. Grum-Grzhimailo,Michael Meyer +6 more
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Using X-ray free-electron lasers for spectroscopy of molecular catalysts and metalloenzymes
Uwe Bergmann,Uwe Bergmann,Jan Kern,Robert W. Schoenlein,Philippe Wernet,Vittal K. Yachandra,Junko Yano +6 more
TL;DR: The current state of the art of X-ray spectroscopy studies at XFELs is described and some new techniques currently under development are highlighted, including real-time molecular movies of metalloenzymes and catalysts in solution, while chemical reactions are taking place.
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