scholarly journals Structure and bonding in Au(i) chloride species: a critical examination of X-ray absorption spectroscopy (XAS) data

RSC Advances ◽  
2015 ◽  
Vol 5 (9) ◽  
pp. 6912-6918 ◽  
Author(s):  
Sin-Yuen Chang ◽  
Akihiro Uehara ◽  
Samuel G. Booth ◽  
Konstantin Ignatyev ◽  
J. Frederick W. Mosselmans ◽  
...  
Keyword(s):  
Absorption Spectrum ◽  
Absorption Spectroscopy ◽  
Critical Examination ◽  
X Ray ◽  
Structure And Bonding ◽  
X Ray Absorption

We determined a reliable Au(i) chloride X-ray absorption spectrum from dichlorobenzene solutions containing varying amounts of [AuCl2]−and [AuCl3OH]−.

Solution-Phase Structure and Bonding of Au38(SR)24 Nanoclusters from X-ray Absorption Spectroscopy

2010 ◽  
Vol 115 (1) ◽  
pp. 65-69 ◽  
Author(s):  
Mark A. MacDonald ◽  
Peng Zhang ◽  
Ning Chen ◽  
Huifeng Qian ◽  
Rongchao Jin
Keyword(s):  
Absorption Spectroscopy ◽  
Phase Structure ◽  
Solution Phase ◽  
X Ray ◽  
Structure And Bonding ◽  
X Ray Absorption

Beyond structure: ultrafast X-ray absorption spectroscopy as a probe of non-adiabatic wavepacket dynamics

2016 ◽  
Vol 194 ◽  
pp. 117-145 ◽  
Author(s):  
Simon P. Neville ◽  
Vitali Averbukh ◽  
Serguei Patchkovskii ◽  
Marco Ruberti ◽  
Renjie Yun ◽  
...  
Keyword(s):  
Absorption Spectrum ◽  
Excited State ◽  
Absorption Spectroscopy ◽  
Vacuum Ultraviolet ◽  
Chemical Shifts ◽  
Structural Evolution ◽  
Time Resolved ◽  
X Ray ◽  
Wavepacket Dynamics ◽  
X Ray Absorption

The excited state non-adiabatic dynamics of polyatomic molecules, leading to the coupling of structural and electronic dynamics, is a fundamentally important yet challenging problem for both experiment and theory. Ongoing developments in ultrafast extreme vacuum ultraviolet (XUV) and soft X-ray sources present new probes of coupled electronic-structural dynamics because of their novel and desirable characteristics. As one example, inner-shell spectroscopy offers localized, atom-specific probes of evolving electronic structure and bonding (via chemical shifts). In this work, we present the first on-the-fly ultrafast X-ray time-resolved absorption spectrum simulations of excited state wavepacket dynamics: photo-excited ethylene. This was achieved by coupling the ab initio multiple spawning (AIMS) method, employing on-the-fly dynamics simulations, with high-level algebraic diagrammatic construction (ADC) X-ray absorption cross-section calculations. Using the excited state dynamics of ethylene as a test case, we assessed the ability of X-ray absorption spectroscopy to project out the electronic character of complex wavepacket dynamics, and evaluated the sensitivity of the calculated spectra to large amplitude nuclear motion. In particular, we demonstrate the pronounced sensitivity of the pre-edge region of the X-ray absorption spectrum to the electronic and structural evolution of the excited-state wavepacket. We conclude that ultrafast time-resolved X-ray absorption spectroscopy may become a powerful tool in the interrogation of excited state non-adiabatic molecular dynamics.

X-RAY ABSORPTION SPECTROSCOPY STUDY OF Cu-BASED METHANOL CATALYSTS. 2. REDUCED STATE

1986 ◽  
Vol 47 (C8) ◽  
pp. C8-237-C8-242 ◽  
Author(s):  
B. S. CLAUSEN ◽  
B. LENGELER ◽  
B. S. RASMUSSEN ◽  
W. NIEMANN ◽  
H. TOPSØE
Keyword(s):  
Absorption Spectroscopy ◽  
Spectroscopy Study ◽  
X Ray ◽  
X Ray Absorption ◽  
Reduced State

GAS PHASE X-RAY ABSORPTION SPECTROSCOPY WITH AN ELECTRON YIELD DETECTOR

1986 ◽  
Vol 47 (C8) ◽  
pp. C8-149-C8-151
Author(s):  
F. W. LYTLE ◽  
R. B. GREEGOR ◽  
G. H. VIA ◽  
J. M. BROWN ◽  
G. MEITZNER
Keyword(s):  
Gas Phase ◽  
Absorption Spectroscopy ◽  
X Ray ◽  
Electron Yield ◽  
X Ray Absorption

THE FORMATION, STRUCTURE AND DISSOLUTION OF THE FERRITIN IRON CORE STUDIED BY X-RAY ABSORPTION SPECTROSCOPY

1986 ◽  
Vol 47 (C8) ◽  
pp. C8-1155-C8-1157
Author(s):  
E. C. THEIL ◽  
D. E. SAYERS ◽  
C. Y. YANG ◽  
A. FONTAINE ◽  
E. DARTYGE
Keyword(s):  
Absorption Spectroscopy ◽  
Iron Core ◽  
X Ray ◽  
Ferritin Iron ◽  
X Ray Absorption
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