High resolution 1s core hole X-ray spectroscopy in 3d transition metal complexes—electronic and structural information

Glatzel, Pieter; Bergmann, Uwe

doi:10.1016/j.ccr.2004.04.011

Cited by 880 publications

(824 citation statements)

References 153 publications

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“…Resonant inelastic X-ray scattering (RIXS) can also gives valuable insights into the electronic structure [10,9,11]. For spin-state transitions the variations of the 3d state energies and populations are substantial.…”

Section: Time-resolved Rixs At the Spin-state Transitionmentioning

confidence: 99%

“…Hard X-ray spectroscopies can provide unique insights into the electronic and geometric structure, combined with element-, orbital-, and orientation sensitivity [9,10,11]. These techniques probe the bulk properties of the sample, and are even compatible with extreme conditions due to the large penetration depths [12].…”

Section: Introductionmentioning

confidence: 99%

“…X-ray Emission Spectroscopy (XES) and Resonant Inelastic X-ray Scattering (RIXS) are very powerful in elucidating the electronic structure, providing information on the electron energies, local geometry, spin and valence state, etc. [9,17,18,19,20,21,22,23]. These tools can thus deliver complementary information to the usually employed ultrafast laser spectroscopies, when implemented in a pump-probe experiment with a laser pump and a time-delayed X-ray probe pulse.…”

Section: Introductionmentioning

confidence: 99%

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Spin-state studies with XES and RIXS: From static to ultrafast

Vankó

Bordage

Glatzel

et al. 2013

Journal of Electron Spectroscopy and Related Phenomena

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We report on extending hard X-ray emission spectroscopy (XES) together with resonant inelastic X-ray scattering (RIXS) to study ultrafast phenomena in a pump-probe scheme at MHz repetition rates. The investigated system consists of low-spin (LS) Fe II complex compounds, where optical pulses induce a spinstate transition to their ≈ nanosecond-lived high-spin (HS) state. Time-resolved XES clearly reflects the spinstate variations with very high signal-to-noise ratio, in agreement with HS-LS difference spectra measured via thermally induced spin crossover, and reference HS-LS systems in static experiments. 1s2p RIXS, measured at the Fe 1s pre-edge region shows variations after laser excitation, which are consistent with the formation of the HS state. Our results demonstrate that now X-ray spectroscopy experiments with overall rather weak signals, such as RIXS, can be reliably exploited to study chemical and physical transformations on ultrafast time scales.

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Section: Time-resolved Rixs At the Spin-state Transitionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Spin-state studies with XES and RIXS: From static to ultrafast

Vankó

Bordage

Glatzel

et al. 2013

Journal of Electron Spectroscopy and Related Phenomena

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“…While this decay channel of the core hole is the dominant radiative decay channel in the soft x-ray photon energy regime, other transitions, namely core to core transitions, are the dominant radiative decays in the hard x-ray regime (82). As we are interested in the valence electronic structure here, I will focus in the following on valence to core transitions in XES/RIXS (core-valence XES).…”

Section: Discussionmentioning

confidence: 99%

Electronic structure in real time: mapping valence electron rearrangements during chemical reactions

Wernet

2011

Phys. Chem. Chem. Phys.

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The interest in following the evolution of the valence electronic structure of atoms and molecules during chemical reactions on a femtosecond time scale is discussed. By explicitly mapping the occupied part of the electronic structure with femtosecond pump-probe schemes one essentially follows the electrons making the bonds while the bonds change. This holds the key to unprecedented insight into chemical bonding in short-lived intermediates and reveals the coupled motion of electrons and nuclei. Examples from the recent literature on small molecules and anionic clusters in the gas phase and on atoms and molecules on surfaces using lab-based femtosecond laser methods are used to demonstrate the case. They highlight how the evolution of the valence electronic structure can be probed with time-resolved photoelectron spectroscopy with ultraviolet (UV) probe photon energies of up to 6 eV. It is shown how new insight can be gained by extending the probing wavelength into the vacuumultraviolet (VUV) region to photon energies of 20 eV and more by accessing the whole occupied valence electronic structure with time-resolved VUV photoelectron spectroscopy.Finally, the importance of soft x-ray free-electron lasers with probe photon energies of several hundred eV and femtosecond pulses and in particular the key role of femtosecond timeresolved soft x-ray emission spectroscopy or resonant inelastic x-ray scattering for mapping the electronic structure during chemical reactions is discussed.2

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“…Often this translates into a bandwidth of less than the lifetime broadening of the spectral features under study. This is often referred to as the RIXS sharpening effect overcoming the core-hole lifetime broadening which is related to the RIXS cross-section [14,15]. The RIXS process is described as a two-step photonin photon-out scheme in which the incident photons undergo an inelastic scattering around a core resonance followed by a characteristic X-ray emission.…”

Section: S2p Rixs With Kramers-heisenbergmentioning

confidence: 99%

1s2p RIXS Calculations for 3d Transition Metal Ions in Octahedral Symmetry

Zimmermann

Hunault

Groot

2018

Journal of Spectroscopy

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We present a series of 1s2p resonant inelastic X-ray scattering (RIXS) calculations for 3d transition metal ions in octahedral symmetry covering each ground state between 3d 0 and 3d 9 . The calculations are performed in octahedral (O h ) symmetry using the crystal field multiplet theory. We discuss the crystal field effects and the selection rules with respect to the 1s2p RIXS pre-edge and compare their final state energies with the corresponding 2p X-ray absorption spectrum (XAS). The calculations provide a detailed understanding of 1s2p RIXS and serve as a basis for the future analysis of experimental spectra and also as a starting point for calculations that add additional channels including the nonlocal peaks.

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High resolution 1s core hole X-ray spectroscopy in 3d transition metal complexes—electronic and structural information

Cited by 880 publications

References 153 publications

Spin-state studies with XES and RIXS: From static to ultrafast

Spin-state studies with XES and RIXS: From static to ultrafast

Electronic structure in real time: mapping valence electron rearrangements during chemical reactions

1s2p RIXS Calculations for 3d Transition Metal Ions in Octahedral Symmetry

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