# DIR Publications

Bibliographie DIR

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 2018 "Radiation-Induced Chemical Dynamics in Ar Clusters Exposed to Strong X-Ray Pulses" Kumagai Y, Jurek Z, Xu W, Fukuzawa H, Motomura K, Iablonskyi D, Nagaya K, Wada S-i, Mondal S, Tachibana T, Ito Y, Sakai T, Matsunami K, Nishiyama T, Umemoto T, Nicolas C, Miron C, Togashi T, Ogawa K, Owada S, Tono K, Yabashi M, Son S-K, Ziaja B, Santra R and Ueda K, Phys. Rev. Lett., Vol. 120(22), pp. 223201. American Physical Society, (2018) [Abstract] [BibTeX] [DOI] [URL] Abstract: We show that electron and ion spectroscopy reveals the details of the oligomer formation in Ar clusters exposed to an x-ray free electron laser (XFEL) pulse, i.e., chemical dynamics triggered by x rays. With guidance from a dedicated molecular dynamics simulation tool, we find that van der Waals bonding, the oligomer formation mechanism, and charge transfer among the cluster constituents significantly affect ionization dynamics induced by an XFEL pulse of moderate fluence. Our results clearly demonstrate that XFEL pulses can be used not only to “damage and destroy” molecular assemblies but also to modify and transform their molecular structure. The accuracy of the predictions obtained makes it possible to apply the cluster spectroscopy, in connection with the respective simulations, for estimation of the XFEL pulse fluence in the fluence regime below single-atom multiple-photon absorption, which is hardly accessible with other diagnostic tools. BibTeX: @article{Kumagai2018, author = {Kumagai, Yoshiaki and Jurek, Zoltan and Xu, Weiqing and Fukuzawa, Hironobu and Motomura, Koji and Iablonskyi, Denys and Nagaya, Kiyonobu and Wada, Shin-ichi and Mondal, Subhendu and Tachibana, Tetsuya and Ito, Yuta and Sakai, Tsukasa and Matsunami, Kenji and Nishiyama, Toshiyuki and Umemoto, Takayuki and Nicolas, Christophe and Miron, Catalin and Togashi, Tadashi and Ogawa, Kanade and Owada, Shigeki and Tono, Kensuke and Yabashi, Makina and Son, Sang-Kil and Ziaja, Beata and Santra, Robin and Ueda, Kiyoshi}, title = {Radiation-Induced Chemical Dynamics in Ar Clusters Exposed to Strong X-Ray Pulses}, journal = {Phys. Rev. Lett.}, publisher = {American Physical Society}, year = {2018}, volume = {120}, number = {22}, pages = {223201}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.120.223201}, doi = {10.1103/PhysRevLett.120.223201} }  "Synchrotron-Radiation-Based Soft X-ray Electron Spectroscopies Applied to Structural and Chemical Characterization of Isolated Species, from Molecules to Nano-objects"Miron C, Patanen M and Benkoula S , In Synchrotron Radiation in Materials Science. , pp. 321-355. Wiley-VCH Verlag GmbH & Co. KGaA, (2018). [Abstract] [BibTeX] [DOI] [URL] Abstract: With its extended tunability from the IR to hard X-rays and the exceptional spectral brightness offered by the third generation storage rings, synchrotron radiation (SR) has become an invaluable investigation tool. Major methodological developments have been recently undertaken, first applied to simple systems, isolated atoms and molecules - that can be often modeled ab initio - and then extended to the investigation of more and more complex species, up to the soft and hard condensed matter. Here, we present some of the most recent achievements in SR-based soft X-ray electron spectroscopy applied to the structural characterization of isolated species of increasing complexity from molecules to clusters and nanoparticles. Special attention is devoted to very high-resolution studies of free molecules revealing physical phenomena such as electron diffraction and interference effects, as well as detailed information about the potential energy surfaces. Beyond this, we will see how technical progress of SR-based soft X-ray spectroscopy opens new routes to structural studies on freestanding nanosystems. These achievements have only become possible using the new experimental opportunities offered by the most advanced SR facilities. BibTeX: @inbook{Miron2018a, author = {Miron, Catalin and Patanen, Minna and Benkoula, Safia}, title = {Synchrotron-Radiation-Based Soft X-ray Electron Spectroscopies Applied to Structural and Chemical Characterization of Isolated Species, from Molecules to Nano-objects}, booktitle = {Synchrotron Radiation in Materials Science}, publisher = {Wiley-VCH Verlag GmbH & Co. KGaA}, year = {2018}, pages = {321--355}, url = {http://dx.doi.org/10.1002/9783527697106.ch10}, doi = {10.1002/9783527697106.ch10} }  2017 "Electronic-state interference in the C1s excitation and decay of methyl chloride studied by angularly resolved Auger spectroscopy" Nandi S, Nicolas C, Artemyev AN, Novikovskiy NM, Miron C, Bozek JD and Demekhin PV , Physical Review A., Nov, 2017. Vol. 96, pp. 052501. American Physical Society, (2017). [Abstract] [BibTeX] [DOI] [URL] Abstract: Resonant Auger (RA) decay spectra of carbon 1s $1s$ excited CH3Cl ${\mathrm{CH}}_{3}\mathrm{Cl}$ molecules are recorded with angular resolution using linearly polarized synchrotron radiation. The selected photon energies corresponding to the C 1s→8a1 $1s\to 8{a}_{1}$ core to lowest unoccupied molecular orbital and C 1s→4sa1 $1s\to 4s{a}_{1}$ , 4pe $4pe$ , and 4pa1 $4p{a}_{1}$ core to Rydberg excitations of methyl chloride are used and electrons in the binding energy range of 11–37 eV are detected. The vibrationally unresolved RA electron angular distributions, recorded for participator Auger transitions populating the X $X$ , A $A$ , B $B$ , and C $C$ states of the CH3Cl+ ${\mathrm{CH}}_{3}{\mathrm{Cl}}^{+}$ ion, exhibit strong variations across the selected electronic resonances. These observations are interpreted with the help of ab initio electronic structure and dynamics calculations, which account for electronic-state interference between the direct and different resonant ionization pathways. For spectator transitions, the theory predicts almost isotropic angular distributions with moderate changes of $\beta$ parameters around zero, which is in agreement with the experimental observations. BibTeX: @article{PhysRevA.96.052501, author = {Nandi, S. and Nicolas, C. and Artemyev, A. N. and Novikovskiy, N. M. and Miron, C. and Bozek, J. D. and Demekhin, Ph. V.}, title = {Electronic-state interference in the C1s excitation and decay of methyl chloride studied by angularly resolved Auger spectroscopy}, journal = {Phys. Rev. A}, publisher = {American Physical Society}, year = {2017}, volume = {96}, pages = {052501}, url = {https://link.aps.org/doi/10.1103/PhysRevA.96.052501}, doi = {10.1103/PhysRevA.96.052501} } 
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