TY  - JOUR
A1  - Kunnus, Kristjan
A1  - Josefsson, Ida
A1  - Rajkovic, Ivan
A1  - Schreck, Simon
A1  - Quevedo, Wilson
A1  - Beye, Martin
A1  - Grübel, Sebastian
A1  - Scholz, Mirko
A1  - Nordlund, Dennis
A1  - Zhang, Wenkai
A1  - Hartsock, Robert W.
A1  - Gaffney, Kelly J.
A1  - Schlotter, William F.
A1  - Turner, Joshua J.
A1  - Kennedy, Brian
A1  - Hennies, Franz
A1  - Techert, Simone
A1  - Wernet, Philippe
A1  - Odelius, Michael
A1  - Föhlisch, Alexander
T1  - Anti-Stokes resonant x-ray Raman scattering for atom specific and excited state selective dynamics
JF  - NEW JOURNAL OF PHYSICS
N2  - Ultrafast electronic and structural dynamics of matter govern rate and selectivity of chemical reactions, as well as phase transitions and efficient switching in functional materials. Since x-rays determine electronic and structural properties with elemental, chemical, orbital and magnetic selectivity, short pulse x-ray sources have become central enablers of ultrafast science. Despite of these strengths, ultrafast x-rays have been poor at picking up excited state moieties from the unexcited ones. With time-resolved anti-Stokes resonant x-ray Raman scattering (AS-RXRS) performed at the LCLS, and ab initio theory we establish background free excited state selectivity in addition to the elemental, chemical, orbital and magnetic selectivity of x-rays. This unparalleled selectivity extracts low concentration excited state species along the pathway of photo induced ligand exchange of Fe(CO)(5) in ethanol. Conceptually a full theoretical treatment of all accessible insights to excited state dynamics with AS-RXRS with transform-limited x-ray pulses is given-which will be covered experimentally by upcoming transform-limited x-ray sources.
KW  - ultrafast photochemistry
KW  - excited state selectivity
KW  - anti-Stokes resonant x-ray raman scattering
KW  - free electron lasers
KW  - resonant inelastic x-ray scattering
Y1  - 2016
U6  - https://doi.org/10.1088/1367-2630/18/10/103011
SN  - 1367-2630
VL  - 18
PB  - IOP Publ. Ltd.
CY  - Bristol
ER  - 
TY  - JOUR
A1  - Beye, Martin
A1  - Öberg, Henrik
A1  - Xin, Hongliang
A1  - Dakovski, Georgi L.
A1  - Föhlisch, Alexander
A1  - Gladh, Jorgen
A1  - Hantschmann, Markus
A1  - Hieke, Florian
A1  - Kaya, Sarp
A1  - Kühn, Danilo
A1  - LaRue, Jerry
A1  - Mercurio, Giuseppe
A1  - Minitti, Michael P.
A1  - Mitra, Ankush
A1  - Moeller, Stefan P.
A1  - Ng, May Ling
A1  - Nilsson, Anders
A1  - Nordlund, Dennis
A1  - Norskov, Jens
A1  - Öström, Henrik
A1  - Ogasawara, Hirohito
A1  - Persson, Mats
A1  - Schlotter, William F.
A1  - Sellberg, Jonas A.
A1  - Wolf, Martin
A1  - Abild-Pedersen, Frank
A1  - Pettersson, Lars G. M.
A1  - Wurth, Wilfried
T1  - Chemical Bond Activation Observed with an X-ray Laser
JF  - The journal of physical chemistry letters
N2  - The concept of bonding and antibonding orbitals is fundamental in chemistry. The population of those orbitals and the energetic difference between the two reflect the strength of the bonding interaction. Weakening the bond is expected to reduce this energetic splitting, but the transient character of bond-activation has so far prohibited direct experimental access. Here we apply time-resolved soft X-ray spectroscopy at a free electron laser to directly observe the decreased bonding antibonding splitting following bond-activation using an ultrashort optical laser pulse.
Y1  - 2016
U6  - https://doi.org/10.1021/acs.jpclett.6b01543
SN  - 1948-7185
VL  - 7
SP  - 3647
EP  - 3651
PB  - American Chemical Society
CY  - Washington
ER  - 
TY  - JOUR
A1  - Eckert, Sebastian
A1  - Miedema, P. S.
A1  - Quevedo, W.
A1  - Fondell, Mattis
A1  - Beye, Martin
A1  - Pietzsch, Annette
A1  - Ross, M.
A1  - Khalil, M.
A1  - Föhlisch, Alexander
T1  - Molecular structures and protonation state of 2-Mercaptopyridine in aqueous solution
JF  - Chemical physics letters
N2  - The speciation of 2-Mercaptopyridine in aqueous solution has been investigated with nitrogen 1s Near Edge X-ray Absorption Fine Structure spectroscopy and time dependent Density Functional Theory. The prevalence of distinct species as a function of the solvent basicity is established. No indications of dimerization towards high concentrations are found. The determination of different molecular structures of 2-Mercaptopyridine in aqueous solution is put into the context of proton-transfer in keto-enol and thione-thiol tautomerisms. (C) 2016 The Authors. Published by Elsevier B.V.
Y1  - 2016
U6  - https://doi.org/10.1016/j.cplett.2016.01.050
SN  - 0009-2614
SN  - 1873-4448
VL  - 647
SP  - 103
EP  - 106
PB  - Elsevier
CY  - Amsterdam
ER  -