A review of molecular effects in gas-phase KL X-ray emission

Guillemin, R.; Carniato, S.; Journel, L.; Stolte, Wayne C.; Marchenko, T.; Khoury, Lara El; Kawerk, Elie; Piancastelli, Maria Novella; Hudson, Amanda C.; Lindle, Dennis W.; Simon, M.

doi:10.1016/j.elspec.2012.11.007

Cited by 10 publications

(5 citation statements)

References 40 publications

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“…(2) Figure 3 shows the recorded Kβ and Kα radiative decay in argon following excitation around the 1s ionization threshold. Data are taken from a previous publication [21], and are shown as two-dimensional (2D) maps as a function of excitation energy. Kβ decay is identified in Fig.…”

Section: A Radiative Decaymentioning

confidence: 99%

“…The relative weight of the radiative channel in Ar had been estimated between 8% and 14% [2,17,20]. Radiative decay pathways branch into several subchannels [21]. Kβ fluorescence (using Siegbahn notation, KM using IUPAC notation), which is responsible for the formation of Ar + after 1s ionization, leads to a state with a valence hole with no further energetically allowed decay.…”

Section: Introductionmentioning

confidence: 99%

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Interplay of complex decay processes after argon 1s ionization

et al. 2018

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Complex decay pathways involving radiative and nonradiative relaxation after deep core-level ionization in argon are disentangled by a unique combination of several synchrotron radiation-based spectroscopic techniques. In particular, by comparing the results obtained from electron-ion coincidence, photon-ion coincidence, and x-ray emission measurements, we are able to distinguish the final ionic states produced in the cascade decay involving Kα and Kβ radiative decay and final ionic states produced by nonradiative cascade decay. High-resolution Auger electron spectroscopy is then used as a complementary tool to identify the LMM transitions contributing to the cascade decay. Ab initio calculations are performed to identify the electronic states involved in the LMM decay.

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Section: A Radiative Decaymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Interplay of complex decay processes after argon 1s ionization

et al. 2018

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“…Our previous studies in gas-phase molecules excited at the iodine L shell [18] and the chlorine K shell [19][20][21][22][23][24] show that spectral features of RIXS and resonant Auger electron emission carry information on subfemtosecond nuclear dynamics in a molecule upon core-hole excitation. Nonlinear dispersion and a significant narrowing of the spectral lines around the resonant excitation were shown to reflect molecular bond elongation.…”

Section: Introductionmentioning

confidence: 97%

Electron Dynamics in the Core-ExcitedCS2Molecule Revealed through Resonant Inelastic X-Ray Scattering Spectroscopy

et al. 2015

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We present an experimental and theoretical study of resonant inelastic x-ray scattering (RIXS) in the carbon disulphide CS 2 molecule near the sulfur K-absorption edge. We observe a strong evolution of the RIXS spectral profile with the excitation energy tuned below the lowest unoccupied molecular orbital (LUMO) absorption resonance. The reason for this is twofold. Reducing the photon energy in the vicinity of the LUMO absorption resonance leads to a relative suppression of the LUMO contribution with respect to the emission signal from the higher unoccupied molecular orbitals, which results in the modulation of the total RIXS profile. At even larger negative photon-energy detuning from the resonance, the excitationenergy dependence of the RIXS profile is dominated by the onset of electron dynamics triggered by a coherent excitation of multiple electronic states. Furthermore, our study demonstrates that in the hard x-ray regime, localization of the S 1s core hole occurs in CS 2 during the RIXS process because of the orientational dephasing of interference between the waves scattering on the two sulfur atoms. Core-hole localization leads to violation of the symmetry selection rules for the electron transitions observed in the spectra.

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“…Along with the improvement of the instrumental resolution in X-ray spectroscopic studies, not only electronic but also the vibrational transitions have recently attracted growing attention. [4,5] In Ref. 6, RIXS has been even regarded to be a complementary technique to the conventional vibrational infra-red and Raman spectroscopies.…”

Section: Introductionmentioning

confidence: 99%

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy

Karsten

Bokarev

Aziz

et al. 2017

The Journal of Chemical Physics

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Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking nuclear dynamics and the associated nuclear correlations into account may be of importance for X-ray spectroscopy. Recently, we have developed an efficient protocol to account for nuclear dynamics in X-ray absorption and resonant inelastic X-ray scattering spectra [Karsten et al., J. Phys. Chem. Lett. 8, 992 (2017)], based on ground state molecular dynamics accompanied with state-of-the-art calculations of electronic excitation energies and transition dipoles. Here, we present an alternative derivation of the formalism and elaborate on the developed simulation protocol using gas phase and bulk water as examples. The specific spectroscopic features stemming from the nuclear motions are analyzed and traced down to the dynamics of electronic energy gaps and transition dipole correlation functions. The observed tendencies are explained on the basis of a simple harmonic model, and the involved approximations are discussed. The method represents a step forward over the conventional approaches that treat the system in full complexity and provides a reasonable starting point for further improvements.

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A review of molecular effects in gas-phase KL X-ray emission

Cited by 10 publications

References 40 publications

Interplay of complex decay processes after argon 1s ionization

Interplay of complex decay processes after argon 1s ionization

Electron Dynamics in the Core-ExcitedCS2Molecule Revealed through Resonant Inelastic X-Ray Scattering Spectroscopy

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy

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