Multidimensional x-ray spectroscopy of valence and core excitations in cysteine
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In this paper, the coupling between localized core and delocalized valence excitation in two-and three-pulse stimulated x-ray Raman spectroscopy (SXRS) signals with frequency-dispersed probe was investigated.Abstract:
Several nonlinear spectroscopy experiments which employ broadband x-ray pulses to probe the coupling between localized core and delocalized valence excitation are simulated for the amino acid cysteine at the K-edges of oxygen and nitrogen and the K- and L-edges of sulfur. We focus on two-dimensional (2D) and 3D signals generated by two- and three-pulse stimulated x-ray Raman spectroscopy (SXRS) with frequency-dispersed probe. We show how the four-pulse x-ray signals kI=−k1+k2+k3 and k II =k1−k2+k3 can give new 3D insight into the SXRS signals. The coupling between valence- and core-excited states can be visualized in three-dimensional plots, revealing the origin of the polarizability that controls the simpler pump-probe SXRS signals.read more
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Time-, Frequency-, and Wavevector-Resolved X-Ray Diffraction from Single Molecules
TL;DR: In this article, the off-resonant scattering of a broad-band X-ray pulse from a sample initially prepared in an arbitrary superposition of electronic states is calculated using a quantum electrodynamic framework.
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Element- and enantiomer-selective visualization of molecular motion in real-time
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Element- and enantiomer-selective visualization of ibuprofen dimer vibrations
R. Mincigrucci,Jérémy R. Rouxel,Barbara Rossi,Emiliano Principi,Cettina Bottari,Sara Catalini,Danny Fainozzi,Laura Foglia,Alberto Simoncig,Alessia Matruglio,G. Kurdi,Flavio Capotondi,Emanuele Pedersoli,Andrea Perucchi,Federica Piccirilli,Alessandro Gessini,Marco Giarola,Gino Mariotto,Shaul Mukamel,Filippo Bencivenga,Majed Chergui,Claudio Masciovecchio +21 more
TL;DR: In chemistry, biology and materials science, the ability to access interatomic interactions and their dynamical evolution has become possible with the advent of femtosecond lasers as mentioned in this paper, but optical spectroscopies only detect the effect of the interatomic vibrations on the global electronic surfaces.
Book ChapterDOI
Probing Molecular Photoexcited Dynamics by Soft X-Rays
TL;DR: In this article, a short introduction to probing photoexcited dynamics of isolated molecules by ultrashort x-ray pulses is presented, which describes the basic concepts of electronic and nuclear dynamics in a molecule after optical excitation.
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