B 3 - Ultrafast dynamics of chemical reactions investigated by femtosecond x-ray pulses

One of the aims of modern storage ring or LINAC based x-ray science utilizing soft or hard x-ray radiation - with the common feature of ultrashort pulse generation - is the collection of structural dynamics features of chemical or biochemical systems or a chemical reaction on their intrinsic time scales of their atomic motions (which are ultrafast). In order to keep the precision of structure determination during the collection of time series of snapshots within the real time of the atomic movements, in the current project we propose to develop ultrafast x-ray spectroscopy and x-ray diffraction techniques on their technical precision limits - in time, in space, and in energy.

Members of this project:

PD Dr. Simone Techert
Dr. Sadia Bari


Publications:

Bari, S., Egorov, D., Jansen, T. L. C., Boll, R., Hoekstra, R., Techert, S., Zamudio‐Bayer, V., Bülow, C., Lindblad, R., Leistner, G., Ławicki, A., Hirsch, K., Miedema, P. S., von Issendorff, B., Lau, J. T. and Schlathölter, T. (2018)
Soft X‐ray Spectroscopy as a Probe for Gas‐Phase Protein Structure: Electron Impact Ionization from Within
Chem. Europ. J., 24(30): 7631-7636, DOI:10.1002/chem.201801440

David, C., Rösner, B., Döring, F., Guzenko, V., Koch, F., Lebugle, M., Marschall, F., Seniutinas, G., Raabe, J., Watts, B., Grolimund, D., Yin, Z., Beye, M., Techert, S., Viefhaus, J., Falkenberg, G. and Schroer, C. (B03, B10)
Diffractive X-ray Optics for Synchrotrons and Free -Electron Lasers
Microsc. Microanal., 24: 264, DOI:10.1017/S1431927618013673

Erk, B., Müller, J. P., Bomme, C., Boll, R., Brenner, G., Chapman, H. N., Correa, J., Düsterer, S., Dziarzhytski, S., Eisebitt, S., Graafsma, H., Grunewald, S., Gumprecht, L., Hartmann, R., Hauser, G., Keitel, B., Korff Schmising, C., von Kuhlmann, M., Manschwetus, B., Mercadier, L., Müller, E., Passow, C., Plönjes, E., Ramm, D., Rompotis, D., Rudenko, A., Rupp, D., Sauppe, M., Siewert, F., Schlosser, D., Stüder, L., Swiderski, A., Techert, S., Tiedtke, K., Tilp, T., Treusch, R., Schlichting, I., Ullrich, J., Moshammer, R., Möller, T. and Rolles, D. (2018)
CAMP@FLASH: an End-station for Imaging, Electron- and Ion-Spectroscopy and Pump–Probe Experiments at the FLASH Free-Electron Laser
J. Synchr. Rad., 25(25), DOI:10.1107/S1600577518008585

Döring, F., Marschall, F., Yin, Z., Rösner, B., Beye, M., Miedema, P., Kubiček, K., Glaser, L., Raiser, D., Soltau, J., Guzenko, V., Viefhaus, J., Buck, J., Risch, M., Techert, S. and David, C. (2018)
1D-Full Field Microscopy of Elastic and Inelastic Scattering with Transmission off-axis Fresnel Zone Plates
Proc. Int. X-Ray Microscop. Conf., 24: 184-185, DOI:10.1017/S1431927618013260

Mueller, A., Borovik, Bari, S., Buhr, T., Hoelste, K., Martins, M., Perry-Sassmannshausen, A., Phaneuf, R., Reinwardt, S., Ritz, S., Schubert, K. and Schippers, S. (2018)
Near-K-Edge Double and Triple Detachment of the F−Negative Ion: Observation of Direct Two-Electron Ejection by a Single Photon
Phys. Rev. Lett., 120(13): 133202, DOI:10.1103/PhysRevLett.120.133202

Egorov, D., Bari, S., Boll, R., Dörner, S., Deinert, S., Hoekstra, R., Techert, S., Zamudio‐Bayer, V., Lindblad, R., Bülow, C., Timm, M., von Issendorff, B., Lau, J. T. and Schlathölter, T. (2018)
Near-edge Soft X-ray Absorption Mass Spectrometry of Protonated Melittin
J. Am. Soc. Mass Spectrom., DOI:10.1007/s13361-018-2035-6

Bari, S., Egorov, D., Jansen, T. L. C., Boll, R., Hoekstra, R., Techert, S., Zamudio‐Bayer, V., Bülow, C., Lindblad, R., Leistner, G., Ławicki, A., Hirsch, K., Miedema, P. S., von Issendorff, B., Lau, J. T. and Schlathölter, T. (2018)
Soft X‐ray Spectroscopy as a Probe for Gas‐Phase Protein Structure: Electron Impact Ionization from Within
Chem. Europ. J., 24(30), DOI:10.1002/chem.201801440

Jay, R. M., Norell, J., Eckert, S., Hantschmann, M., Beye, M., Kennedy, B., Quevedo, W., Schlotter, W. F., Dakovski, G. L., Minitti, M. P., Hoffmann, M. C., Mitra, A., Moeller, S. P., Nordlund, D., Zhang, W., Liang, W. W., Kunnus, K., Kubiček, K., Techert, S. A., Lundberg, M., Wernet, P., Gaffney, K. and Odelius M. a nd Föhlisch, A. (2018)
Disentangling Transient Charge Density and Metal–Ligand Covalency in Photoexcited Ferricyanide with Femtosecond Resonant Inelastic Soft X-ray Scattering
J. Chem. Phys. Lett., 9(12): 3538

Brauße, F., Goldsztejn, G., Amini, K., Boll, R., Bari, S., Bomme, C., Brouard, M., Burt, M., Cunha de Miranda, B., Duesterer, S., Erk, B., Geleoc, M., Geneaux, R., Gentleman, A. S., Guillemin, R., Ismail, I., Johnsson, P., Journel, L., Kierspel, T., Koeckert, H., Kuepper, J., Lablanquie, P., Lahl, J., Lee, J. W. L., Mackenzie, S. R., Maclot, S., Manschwetus, B., Mereshchenko, A. S., Mullins, T., Olshin, P. K., Palaudoux, J., Patchkovskii, S., Penent, F., Piancastelli, M. N., Rompotis, D., Ruchon, T., Rudenko, A., Savelyev, E., Schirmel, N., Techert, S., Travnikova, O., Trippel, S., Underwood, J. G., Vallance, C., Wiese, J., Simon, M., Holland, D. M. P., Marchenko, T., Rouzee, A. and Rolles, D. (2018)
Time-resolved Inner-shell Photoelectron Spectroscopy: from a Bound Molecule to an Isolated Atom
Phys. Rev. A, 97(4): 043429, DOI:DOI: 10.1063/1.4998648

Amini, K., Savelyev, E., Brauße, F., Berrah, N., Bomme, C., Brouard, M., Burt, M., Christensen, L., Duesterer, S., Erk, B., Hoeppner, H., Kierspel, T., Krecinic, F., Lauer, A., Lee, J. W. L., Mueller, M., Mueller, E., Mullins, T., Redlin, H., Schirmel, N., Thogersen, J., Techert, S., Toleikis, S., Treusch, R., Trippel, S., Ulmer, A., Vallance, C., Wiese, J., Johnsson, P., Kuepper, J., Rudenko, A., Rouzzee, A., Stapelfeldt, H., Rolles, D. and R., B. (2018)
Photodissociation of aligned CH3I and C6H3F2I molecules probed with time-resolved Coulomb explosion imaging by site-selective extreme ultraviolet ionization
Struct Dyn., 5(1): 014301, DOI:10.1063/1.4998648

Yin, Z., Inhester, L., Thekku Veedu, S., Quevedo, W., Pietzsch, A., Wernet, P., Groenhof, G., Föhlisch, A., Grubmüller, H. and Techert, S. (2017)
Cationic and Anionic Impact on the Electronic Structure of Liquid Water
J. Phys. Chem. Lett., 8: 3759−3764, DOI:10.1021/acs.jpclett.7b01392

Kubiček, K., Thekku Veedu, S., Storozhuk, D., Kia, R. and Techert, S. (2017)
Geometric and electronic properties in a series of phosphorescent heteroleptic Cu(I) complexes: Crystallographic and computational studies
Polyhedron, 124: 166-176, DOI:10.1016/j.poly.2016.12.035

Yin, Z., Rehanek, J., Löchel, H., Braig, C., Buck, J., Firsov, A., Viefhaus, J., Erko, A. and Techert, S. (2017)
Highly efficient soft X-ray spectrometer based on a reflection zone plate for resonant inelastic X-ray scattering measurements
Optics express, 25(10): 10984 - 10996, DOI:10.1364/OE.25.010984

Burt, M., Boll, R., Lee, J. W. L., Amini, K., Köckert, H., Vallance, C., Gentleman, A. S., Mackenzie, S. R., Bari, S., Bomme, C., Düsterer, S., Erk, B., Manschwetus, B., Mueller, E., Rompotis, D., Savelyev, E., Schirmel, N., Techert, S., Treusch, R., Küpper, J., Trippel, S., Wiese, J., Stapelfeldt, H., de Miranda, B. C., Guillemin, R., Ismail, I., Journel, L., Marchenko, T., Palaudoux, J., Penent, F., Piancastelli, M. N., Simon, M., Travnikova, O., Brausse, F., Goldsztejn, G., Rouzée, A., Géléoc, M., Geneaux, R., Ruchon, T., Underwood, J., Holland, D. M. P., Mereshchenko, A. S., Olshin, P. K., Johnsson, P., Maclot, S., Lahl, J., Rudenko, A., Ziaee, F., Brouard, M. and Rolles, D. (2017)
Coulomb-explosion imaging of concurrent CH2BrI photodissociation dynamics
PHYSICAL REVIEW A, 96: 043415, DOI:10.1103/PhysRevA.96.043415

Kjær, K. S., Zhang, W., Alonso-Mori, R., Bergmann, U., Chollet, M., Hadt, R. G., Hartsock, R. W., Harlang, T., Kroll, T., Kubiček, K., Lemke, H. T., Liang, H. W., Liu, Y., Nielsen, M. M., Robinson, J. S., Solomon, E. I., Sokaras, D., van Driel, T. B., Weng, T.-C., Zhu, D., Persson, P., Wärnmark, K., Sundström, V. and Gaffney, K. J. (2017)
Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2′-bipyridine)2(CN)2
Structural Dynamics, 4: 044030, DOI:10.1063/1.4985017

Savelyev, E., Boll, R., Bomme, C., Schirmel, N., Redlin, H., Erk, B., Düsterer, S., Mueller, E., Höppner, H., Toleikis, S., Müller, J., Kristin Czwalinna, M., Treusch, R., Kierspel, T., Mullins, T., Trippel, S., Wiese, J., Küpper, J., Brauβe, F., Krecinic, F., Rouzée, A., Rudawski, P., Johnsson, P., Amini, K., Lauer, A., Burt, M., Brouard, M., Christensen, L., Thøgersen, J., Stapelfeldt, H., Berrah, N., Müller, M., Ulmer, A., Techert, S., Rudenko, A. and Rolles, D. (2017)
Jitter-correction for IR/UV-XUV pump-probe experiments at the FLASH free-electron laser
New J. Phys., 19: 043009, DOI:134.76.41.182 on 21/08/2018

Amini, K., Boll, R., Lauer, A., Burt, M., Lee, J. W. L., Christensen, L., Brauβe, F., Mullins, T., Savelyev, E., Ablikim, U., Berrah, N., Bomme, C., Düsterer, S., Erk, B., Höppner, H., Johnsson, P., Kierspel, T., Krecinic, F., Küpper, J., Müller, M., Müller, E., Redlin, H., Rouzée, A., Schirmel, N., Thøgersen, J., Techert, S., Toleikis, S., Treusch, R., Trippel, S., Ulmer, A., Wiese, J., Vallance, C., Rudenko, A., Stapelfeldt, H., Brouard, M. and Rolles, D. (2017)
Alignment, Orientation, and Coulomb Explosion of Difluoroiodobenzene Studied with the Pixel Imaging Mass Spectrometry (PImMS) Camera
DOI:10.1063/1.4982220

Raiser, D., Mildner, S., Ifland, B., Mohsen, S., Blöchl, P., Techert, S. and Jooss, C. (2017)
Evolution of Hot Polaron States with a Nanosecond Lifetime in a Manganite Perovskite
Advanced science news, 7(12): 1602174, DOI:10.1002/aenm.201602174

Marschall, F., Yin, Z., Rehanek, J., M., B., Döring, F., Kubicek, K., Raiser, D., ST., V., Buck, J., Rothkirch, A., VA., G., Viefhaus, J., David, C. and Techert, S. (2017)
Transmission zone plates as analyzers for efficient parallel 2D RIXS-mapping
Sci Rep., 7(1): 8849, DOI:10.1038/s41598-017-09052-0.

Yin, Z., Peters, H.-B., Hahn, U., Gonschior, J., Mierwaldt, D., Rajkovic, I., Viefhaus, J., Jooss, C. and Techert, S. (2017)
An endstation for resonant inelastic X-ray scattering studies of solid and liquid samples
JOURNAL OF SYNCHROTRON RADIATION, 24: 302-306, DOI:10.1107/S1600577516016611

Zhong, Y., Ostach, D., Scholz, M., Epp, S. W., Techert, S., Schlichting, I., Ullrich, J. and Krasniqi, F. (2017)
Hot carrier relaxation in CdTe via phonon-plasmon modes
J. Phys.: Condens. Matter, 29: 095701 (12pp), DOI:10.1088/1361-648X/aa5478

Kunnus, K., Josefsson, I., Rajkovic, I., Quevedo, W., Beye, M., Weniger, C. and Grübel, S. (2016)
Identification of the dominant photochemical pathways and mechanistic insights to the ultrafast ligand exchange of Fe(CO)5 to Fe(CO)4EtOH
STRUCTURAL DYNAMICS, 3(3): 043204, DOI:10.1063/1.4941602

Debnarova, A., Techert, S. and Schmatz, S. (2014)
Contribution of Coulomb explosion to form factors and mosaicity spread in single particle X-ray scattering.
Phys. Chem. Chem. Phys., 16(2): 792-8, DOI:10.1039/c3cp54011a

Kia, R., Scholz, M., Raithby, P. R. and Techert, S. (2014)
Homoleptic tetraazaphenanthrene-based copper(I) complexes: Synthesis, spectroscopic characterization, crystal structures and computational studies
Inorganica Chim. ActaElsevier B.V.,, 423: 348-357, DOI:10.1016/j.ica.2014.08.052

Schreck, S., Beye, M., Sellberg, J. a., McQueen, T., Laksmono, H., Kennedy, B., Eckert, S., Schlesinger, D., Nordlund, D., Ogasawara, H., Sierra, R. G., Segtnan, V. H., Kubicek, K., Schlotter, W. F., Dakovski, G. L., Moeller, S. P., Bergmann, U., Techert, S., Pettersson, L. G. M., Wernet, P., Bogan, M. J., Harada, Y., Nilsson, A. and Föhlisch, A. (2014)
Reabsorption of Soft X-Ray Emission at High X-Ray Free-Electron Laser Fluences
Phys. Rev. Lett., 113(15): 153002, DOI:10.1103/PhysRevLett.113.153002

Thekku Veedu, S., Raiser, D., Kia, R., Scholz, M. and Techert, S. (2014)
Ultrafast dynamical study of pyrene-N,N-dimethylaniline (PyDMA) as an organic molecular diode in solid state.
J. Phys. Chem. B, 118(12): 3291-7, DOI:10.1021/jp4121222

Yin, Z., Rajkovic, I., Kubicek, K., Quevedo, W., Pietzsch, A., Wernet, P., Föhlisch, A. and Techert, S. (2014)
Probing the Hofmeister effect with ultrafast core-hole spectroscopy.
J. Phys. Chem. B, 118(31): 9398-403, DOI:10.1021/jp504577a

Boll, R., Anielski, D., Bostedt, C., Bozek, J., Christensen, L., Coffee, R., De, S., Decleva, P., Epp, S., Erk, B., Foucar, L., Krasniqi, F., Küpper, J., Rouzée, A., Rudek, B., Rudenko, A., Schorb, S., Stapelfeldt, H., Stener, M., Stern, S., Techert, S., Trippel, S., Vrakking, M., Ullrich, J. and Rolles, D. (2013)
Femtosecond photoelectron diffraction on laser-aligned molecules: Towards time-resolved imaging of molecular structure
Phys. Rev. A, 88(6): 061402, DOI:10.1103/PhysRevA.88.061402

Jain, R., Petri, M., Kirschbaum, S., Feindt, H., Steltenkamp, S., Sonnenkalb, S., Becker, S., Griesinger, C., Menzel, A., Burg, T. P. and Techert, S. (2013)
X-ray scattering experiments with high-flux X-ray source coupled rapid mixing microchannel device and their potential for high-flux neutron scattering investigations.
Eur. Phys. J. E. Soft Matter, 36(9): 109, DOI:10.1140/epje/i2013-13109-9

Yin, Z., Rajković, I., Raiser, D., Scholz, M. and Techert, S. (2013)
Experimental setup for high resolution x-ray spectroscopy of solids and liquid samples
Klisnick, A. & Menoni, C. S.X-Ray Lasers Coherent X-Ray Sources Dev. Appl. X, 8849: 88490I, DOI:10.1117/12.2023992

Debnarova, A., Techert, S. and Schmatz, S. (2012)
Limitations of high-intensity soft X-ray laser fields for the characterisation of water chemistry: Coulomb explosion of the octamer water cluster.
Phys. Chem. Chem. Phys., 14(27): 9606-14, DOI:10.1039/c2cp40598a

Grossmann, P., Rajkovic, I., Moré, R., Norpoth, J., Techert, S., Jooss, C. and Mann, K. (2012)
Time-resolved near-edge x-ray absorption fine structure spectroscopy on photo-induced phase transitions using a tabletop soft-x-ray spectrometer.
Rev. Sci. Instrum., 83(5): 053110, DOI:10.1063/1.4718936

Kunnus, K., Rajkovic, I., Schreck, S., Quevedo, W., Eckert, S., Beye, M., Suljoti, E., Weniger, C., Kalus, C., Grübel, S., Scholz, M., Nordlund, D., Zhang, W., Hartsock, R. W., Gaffney, K. J., Schlotter, W. F., Turner, J. J., Kennedy, B., Hennies, F., Techert, S., Wernet, P. and Föhlisch, A. (2012)
A setup for resonant inelastic soft x-ray scattering on liquids at free electron laser light sources.
Rev. Sci. Instrum., 83(12): 123109, DOI:10.1063/1.4772685

Quevedo, W., Busse, G., Hallmann, J., Moré, R., Petri, M., Krasniqi, F., Rudenko, a., Tschentscher, T., Stojanovic, N., Düsterer, S., Treusch, R., Tolkiehn, M., Techert, S. and Rajkovic, I. (2012)
Ultrafast time dynamics studies of periodic lattices with free electron laser radiation
J. Appl. Phys., 112(9): 093519, DOI:10.1063/1.4764918

Debnarova, A., Techert, S. and Schmatz, S. (2011)
Computational studies of the x-ray scattering properties of laser aligned stilbene.
J. Chem. Phys., 134(5): 054302, DOI:10.1063/1.3523569

Debnarova, A., Techert, S. and Schmatz, S. (2010)
Ab initio studies of ultrafast x-ray scattering of the photodissociation of iodine
Journal of Chemical Physics, 133, DOI:10.1063/1.3475567

Hallmann, J., Grübel, S., Rajkovic, I., Quevedo, W., Busse, G., Scholz, M., More, R., Petri, M. and Techert, S. (2010)
First steps towards probing chemical systems and dynamics with free-electron laser radiation-case studies at the FLASH facility
Journal of Physics B: Atomic, Molecular and Optical Physics, 43: 194009, DOI:10.1088/0953-4075/43/19/194009

Petri, M., Menzel, A., Bunk, O., Busse, G. and Techert, S. (2011)
Concentration effects on the dynamics of liquid crystalline self-assembly: time-resolved X-ray scattering studies.
J. Phys. Chem. A, 115(11): 2176-83, DOI:10.1021/jp1108224

Quevedo, W., Peth, C., Busse, G., Mann, K. and Techert, S. (2010)
Nanosecond dynamics of photoexcited lyotropic liquid crystal structures
Journal of Physical Chemistry B, 114: 8593-8599, DOI:10.1021/jp101609q

Rajkovic, I., Busse, G., Hallmann, J., Moré, R., Petri, M., Quevedo, W., Krasniqi, F., Rudenko, A., Tschentscher, T., Stojanovic, N., Düsterer, S., Treusch, R., Tolkiehn, M. and Techert, S. (2010)
Diffraction Properties of Periodic Lattices under Free Electron Laser Radiation
Phys. Rev. Lett., 104(12): 125503, DOI:10.1103/PhysRevLett.104.125503

Rajkovic, I., Hallmann, J., Grübel, S., More, R., Quevedo, W., Petri, M. and Techert, S. (2010)
Development of a multipurpose vacuum chamber for serial optical and diffraction experiments with free electron laser radiation
Rev. Sci. Instrum., 81(4): 045105, DOI:10.1063/1.3327816

Hallmann, J., Morgenroth, W., Paulmann, C., Davaasambuu, J., Kong, Q., Wulff, M. and Techert, S. (2009)
Time-resolved X-ray diffraction of the photochromic $-styrylpyrylium trifluoromethanesulfonate crystal films reveals ultrafast structural switching
Journal of the American Chemical Society, 131: 15018-15025, DOI:10.1021/ja905484u

Petri, M., Busse, G., Quevedo, W. and Techert, S. (2009)
Photo-Induced Phase Transitions to Liquid Crystal Phases: Influence of the Chain Length from C8E4 to C14E4
Materials, 2(3): 1305-1322, DOI:10.3390/ma2031305

Quevedo, W., Peth, C., Busse, G., Scholz, M., Mann, K. and Techert, S. (2009)
Time-resolved soft X-ray diffraction reveals transient structural distortions of ternary liquid crystals
International Journal of Molecular Sciences, 10: 4754-4771, DOI:10.3390/ijms10114754

Quevedo, W., Petri, M., Busse, G. and Techert, S. (2008)
On the mechanism of photoinduced phase transitions in ternary liquid crystal systems near thermal equilibrium
Journal of Chemical Physics, 129, DOI:10.1063/1.2943200

Quevedo, W., Petri, M. and Techert, S. (2008)
Home-based time-resolved photo small angle X-ray diffraction and its applications
Zeitschrift fur Kristallographie, 223: 322-328, DOI:10.1524/zkri.2008.0031