Circular Dichroism in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="italic">K</mml:mi></mml:math>-Shell Ionization from Fixed-in-Space CO and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>N</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Molecules

Jahnke, T.; Weber, Thorsten; Landers, A. L.; Knapp, A.; Schößler, S.; Nickles, J.; Kammer, S.; Jagutzki, O.; Schmidt, L. Ph. H.; Czasch, A.; Osipov, T.; Arenholz, Elke; Young, A. T.; Muiño, R. Dı́ez; Rolles, Daniel; Abajo, F. Javier García de; Fadley, C. S.; Hove, M. A. Van; Semenov, S.; Cherepkov, N. A.; Rosch, Jens; Prior, M. H.; Schmidt‐Böcking, H.; Cocke, C. L.; Dørner, R.

doi:10.1103/physrevlett.88.073002

Cited by 132 publications

(62 citation statements)

References 18 publications

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“…As an advantage, it allows to selectively address electronic orbitals localized on a particular chiral center of a molecule. Importantly, inner-shell ionization, followed by an ultrafast Auger decay and subsequent fragmentation of the resulting dication by Coulomb explosion, offers the possibility to access molecular frame photoelectron angular distributions by multicoincident detection techniques [32]. This principle has recently been utilized to study PECD in the O 1s photoionization of uniaxially oriented methyloxirane [31].…”

Section: Introductionmentioning

confidence: 99%

Emitter-site-selective photoelectron circular dichroism of trifluoromethyloxirane

et al. 2017

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The angle-resolved inner-shell photoionization of R-trifluoromethyloxirane, C3H3F3O, is studied experimentally and theoretically. Thereby, we investigate the photoelectron circular dichroism (PECD) for nearly-symmetric O 1s and F 1s electronic orbitals, which are localized on different molecular sites. The respective dichroic β1 and angular distribution β2 parameters are measured at the photoelectron kinetic energies from 1 to 16 eV by using variably polarized synchrotron radiation and velocity map imaging spectroscopy. The present experimental results are in good agreement with the outcome of ab initio electronic structure calculations. We report a sizable chiral asymmetry β1 of up to about 9% for the K-shell photoionization of oxygen atom. For the individual fluorine atoms, the present calculations predict asymmetries of similar size. However, being averaged over all fluorine atoms, it drops down to about 2%, as also observed in the present experiment. Our study demonstrates a strong emitter-and site-sensitivity of PECD in the one-photon inner-shell ionization of this chiral molecule.

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Section: Introductionmentioning

confidence: 99%

Emitter-site-selective photoelectron circular dichroism of trifluoromethyloxirane

et al. 2017

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“…One of the most successful approaches is based on the Random Phase Approximation (RPA), which makes use of the relaxed-core Hartree Fock (RCHF) approximation (N 2 3,4,9,60,61,63,64,70,112-114 ; CO 76,112 ) in order to describe core-orbital relaxation effects that may play an important role, e.g., in K-shell photoionization. At higher energies the RCHF approximation has also been used (CO 43,44,50,52,54,67,[115][116][117][118][119][120] , N 2 3 ).…”

Section: Theoretical Methods Within the Fixed-nuclei Approximationmentioning

confidence: 99%

Vibrational branching ratios in the photoelectron spectra of N2 and CO: interference and diffraction effects

Plésiat

Decleva

Martín

2012

Phys. Chem. Chem. Phys.

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Esta es la versión de autor del artículo publicado en: This is an author produced version of a paper published in: We present a detailed account of existing theoretical methods specially designed to provide vibrationally resolved photoionization cross sections of simple molecules within the Born-Oppenheimer approximation, with emphasis on newly developed methods based on density functional theory. The performance of these methods is shown for the case of N 2 and CO photoionization. Particular attention is paid to the region of high photon energies, where the electron wavelength is comparable to the bond length and, therefore, two-center interferences and diffraction are expected to occur. As shown in a recent work [Canton et al., Proc. Natl. Acad. Sci., 2011, 108, 73027306], the main experimental difficulty, which is to extract the relatively small diffraction features from the rapidly decreasing cross section, can be easily overcome by determining ratios of vibrationally resolved photoelectron spectra and existing theoretical calculations. From these ratios, one can thus get direct information about the molecular geometry. In this work, results obtained in a wide range of photon energies and for many different molecular orbitals of N 2 and CO are discussed and compared with the available experimental measurements. From this comparison, limitations and further possible improvements of the existing theoretical methods are discussed. The new results presented in the manuscript confirm that the conclusions reported in the above reference are of general validity.

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“…Combined with kinematically complete experiments, in which the momentum of all ejected electrons and atomic ions is determined in coincidence, they have made possible to obtain detailed information of the photoionization process [1][2][3][4][5][6][7][8]. These kinds of experiments open the door to unravel the dynamics of autoionization, a process triggered by electron correlation.…”

Section: Introductionmentioning

confidence: 99%

Autoionizing decay of H2doubly excited states by using xuv-pump–infrared-probe schemes with trains of attosecond pulses

2012

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We present a theoretical study of H 2 ionization by a pump-probe scheme consisting on an attosecond pulse train (APT) and a near-infrared (IR) pulse. We focus on the autoionization dynamics of the first series of resonant states of the molecule, the Q 1 doubly excited states. The APT central frequency is tuned to populate the 1 + u resonant states. The trace of autoionization is clearly visible in the two-dimensional (2D) proton-electron coincidence spectra and in the proton kinetic energy spectra. The dynamics of the autoionization process is clearly visible in the movie obtained by plotting the 2D spectrum as a function of the time delay between the APT and IR pulses. An analysis of the final symmetries g and u allows us to track the origin of the different structures.

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Circular Dichroism inK-Shell Ionization from Fixed-in-Space CO andN2Molecules

Cited by 132 publications

References 18 publications

Emitter-site-selective photoelectron circular dichroism of trifluoromethyloxirane

Emitter-site-selective photoelectron circular dichroism of trifluoromethyloxirane

Vibrational branching ratios in the photoelectron spectra of N2 and CO: interference and diffraction effects

Autoionizing decay of H2doubly excited states by using xuv-pump–infrared-probe schemes with trains of attosecond pulses

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