Restricted active space simulations of the metal L-edge X-ray absorption spectra and resonant inelastic X-ray scattering: revisiting [CoII/III(bpy)3]2+/3+ complexes

2020 ◽  
Vol 7 (9) ◽  
pp. 1927-1938
Author(s):  
Meiyuan Guo ◽  
Xiaorui Liu ◽  
Rongxing He
Keyword(s):  
Absorption Spectra ◽  
X Ray ◽  
Active Space ◽  
X Ray Scattering ◽  
Cobalt Compounds ◽  
X Ray Absorption ◽  
Ray Scattering

The metal L-edge spectra of cobalt compounds have been interpreted through restricted active space calculations.

Experimental and Theoretical Comparison of the O K-Edge Nonresonant Inelastic X-ray Scattering and X-ray Absorption Spectra of NaReO4

2010 ◽  
Vol 132 (39) ◽  
pp. 13914-13921 ◽  
Author(s):  
Joseph A. Bradley ◽  
Ping Yang ◽  
Enrique R. Batista ◽  
Kevin S. Boland ◽  
Carol J. Burns ◽  
...  
Keyword(s):  
Absorption Spectra ◽  
X Ray ◽  
Theoretical Comparison ◽  
X Ray Scattering ◽  
X Ray Absorption ◽  
Ray Scattering

scholarly journals Vibrational resonant inelastic X-ray scattering in liquid acetic acid: a ruler for molecular chain lengths

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Viktoriia Savchenko ◽  
Iulia Emilia Brumboiu ◽  
Victor Kimberg ◽  
Michael Odelius ◽  
Pavel Krasnov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Acetic Acid ◽  
Molecular Chain ◽  
X Ray ◽  
X Ray Scattering ◽  
Localized Excitations ◽  
Vibrational Excitations ◽  
Chain Lengths ◽  
X Ray Absorption ◽  
Ray Scattering

AbstractQuenching of vibrational excitations in resonant inelastic X-ray scattering (RIXS) spectra of liquid acetic acid is observed. At the oxygen core resonance associated with localized excitations at the O–H bond, the spectra lack the typical progression of vibrational excitations observed in RIXS spectra of comparable systems. We interpret this phenomenon as due to strong rehybridization of the unoccupied molecular orbitals as a result of hydrogen bonding, which however cannot be observed in x-ray absorption but only by means of RIXS. This allows us to address the molecular structure of the liquid, and to determine a lower limit for the average molecular chain length.

scholarly journals Crystalline and magnetic structure of Ba2CuO3+δ investigated by x-ray absorption spectroscopy and resonant inelastic x-ray scattering

2020 ◽  
pp. 1353810
Author(s):  
Roberto Fumagalli ◽  
Abhishek Nag ◽  
Stefano Agrestini ◽  
Mirian Garcia-Fernandez ◽  
Andrew C. Walters ◽  
...  
Keyword(s):  
Magnetic Structure ◽  
Absorption Spectroscopy ◽  
X Ray ◽  
X Ray Scattering ◽  
X Ray Absorption ◽  
Ray Scattering

Note: Construction of x-ray scattering and x-ray absorption fine structure beamline at the Pohang Light Source

2010 ◽  
Vol 81 (2) ◽  
pp. 026103 ◽  
Author(s):  
Ik-Jae Lee ◽  
Chung-Jong Yu ◽  
Young-Duck Yun ◽  
Chae-Soon Lee ◽  
In Deuk Seo ◽  
...  
Keyword(s):  
Fine Structure ◽  
Light Source ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Scattering ◽  
Pohang Light Source ◽  
X Ray Absorption ◽  
Ray Scattering

scholarly journals 1s2p resonant inelastic X-ray scattering combined dipole and quadrupole analysis method

2017 ◽  
Vol 24 (1) ◽  
pp. 296-301 ◽  
Author(s):  
Alexander Bagger ◽  
Ties Haarman ◽  
Anna Puig Molina ◽  
Poul George Moses ◽  
Hirofumi Ishii ◽  
...  
Keyword(s):  
Continuum Model ◽  
Analysis Method ◽  
Exciton Model ◽  
X Ray ◽  
Additional Information ◽  
X Ray Scattering ◽  
Analysis Strategy ◽  
X Ray Absorption ◽  
The Continuum ◽  
Ray Scattering

In this study an analysis strategy towards using the resonant inelastic X-ray scattering (RIXS) technique more effectively compared with X-ray absorption spectroscopy (XAS) is presented. In particular, the question of when RIXS brings extra information compared with XAS is addressed. To answer this question the RIXS plane is analysed using two models: (i) an exciton model and (ii) a continuum model. The continuum model describes the dipole pre-edge excitations while the exciton model describes the quadrupole excitations. Applying our approach to the experimental 1s2p RIXS planes of VO2 and TiO2, it is shown that only in the case of quadrupole excitations being present is additional information gained by RIXS compared with XAS. Combining this knowledge with methods to calculate the dipole contribution in XAS measurements gives scientists the opportunity to plan more effective experiments.

Confocal X-ray technology based on capillary X-ray optics

2015 ◽  
Vol 34 (1-2) ◽  
Author(s):  
Tianxi Sun ◽  
Xunliang Ding
Keyword(s):  
Life Science ◽  
Food Science ◽  
X Ray Diffraction ◽  
Ray Optics ◽  
X Ray ◽  
X Ray Scattering ◽  
X Ray Imaging ◽  
X Ray Absorption ◽  
Security Check ◽  
Ray Scattering

AbstractCapillary X-ray optics is versatile, and it can be used with synchrotron radiation source, conventional X-ray source, laser-plasma ultrafast X-ray source, and so forth. Recently, the confocal X-ray technology based on capillary X-ray optics has become popular, and it has been widely used in X-ray fluorescence, X-ray absorption fine structure, X-ray diffraction, small-angle X-ray scattering, X-ray imaging, and X-ray scattering. This confocal X-ray technology has applications in many fields, including environmental monitoring, food science, life science, chemistry, physics, nanomaterials, nondestructive test, security check, and so on.

scholarly journals X-ray absorption and resonant inelastic x-ray scattering in the rare earths

1998 ◽  
Vol 58 (7) ◽  
pp. 3741-3749 ◽  
Author(s):  
Michel van Veenendaal ◽  
Robert Benoist
Keyword(s):  
Rare Earths ◽  
X Ray ◽  
X Ray Scattering ◽  
X Ray Absorption ◽  
Ray Scattering
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