Nuclear dynamics and spectator effects in resonant inelastic soft x-ray scattering of gas-phase water molecules

2012 ◽  
Vol 136 (14) ◽  
pp. 144311 ◽  
Author(s):  
Lothar Weinhardt ◽  
Andreas Benkert ◽  
Frank Meyer ◽  
Monika Blum ◽  
Regan G. Wilks ◽  
...  
Keyword(s):  
Gas Phase ◽  
Water Molecules ◽  
Nuclear Dynamics ◽  
X Ray ◽  
X Ray Scattering ◽  
Phase Water ◽  
Ray Scattering

scholarly journals Simulation of Ultra-Fast Dynamics Effects in Resonant Inelastic X-ray Scattering of Gas-Phase Water

2018 ◽  
Vol 14 (5) ◽  
pp. 2586-2595 ◽  
Author(s):  
Adam E. A. Fouda ◽  
Gregory I. Purnell ◽  
Nicholas A. Besley
Keyword(s):  
Gas Phase ◽  
X Ray ◽  
X Ray Scattering ◽  
Phase Water ◽  
Ray Scattering

scholarly journals Structure of aqueous sodium acetate solutions by X-Ray scattering and density functional theory

2020 ◽  
Vol 92 (10) ◽  
pp. 1627-1641
Author(s):  
Guangguo Wang ◽  
Yongquan Zhou ◽  
He Lin ◽  
Zhuanfang Jing ◽  
Hongyan Liu ◽  
...  
Keyword(s):  
Sodium Acetate ◽  
Density Functional ◽  
Hydration Shell ◽  
Ion Pair ◽  
Water Molecules ◽  
Sodium Acetate Solution ◽  
Acetate Solution ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

AbstractThe structure of aq. sodium acetate solution (CH3COONa, NaOAc) was studied by X-ray scattering and density function theory (DFT). For the first hydrated layer of Na+, coordination number (CN) between Na+ and O(W, I) decreases from 5.02 ± 0.85 at 0.976 mol/L to 3.62 ± 1.21 at 4.453 mol/L. The hydration of carbonyl oxygen (OC) and hydroxyl oxygen (OOC) of CH3COO− were investigated separately and the OC shows a stronger hydration bonds comparing with OOC. With concentrations increasing, the hydration shell structures of CH3COO− are not affected by the presence of large number of ions, each CH3COO− group binds about 6.23 ± 2.01 to 7.35 ± 1.73 water molecules, which indicates a relatively strong interaction between CH3COO− and water molecules. The larger uncertainty of the CN of Na+ and OC(OOC) reflects the relative looseness of Na-OC and Na-OOC ion pairs in aq. NaOAc solutions, even at the highest concentration (4.453 mol/L), suggesting the lack of contact ion pair (CIP) formation. In aq. NaOAc solutions, the so called “structure breaking” property of Na+ and CH3COO− become effective only for the second hydration sphere of bulk water. The DFT calculations of CH3COONa (H2O)n=5–7 clusters suggest that the solvent-shared ion pair (SIP) structures appear at n = 6 and become dominant at n = 7, which is well consistent with the result from X-ray scattering.

Experimental setup for the study of resonant inelastic X-ray scattering of organometallic complexes in gas phase

2018 ◽  
Vol 89 (6) ◽  
pp. 063107 ◽  
Author(s):  
I. Ismail ◽  
R. Guillemin ◽  
T. Marchenko ◽  
O. Travnikova ◽  
J. M. Ablett ◽  
...  
Keyword(s):  
Gas Phase ◽  
Organometallic Complexes ◽  
Experimental Setup ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

scholarly journals Observation of femtosecond molecular dynamics via pump–probe gas phase x-ray scattering

2016 ◽  
Vol 49 (3) ◽  
pp. 034001 ◽  
Author(s):  
J M Budarz ◽  
M P Minitti ◽  
D V Cofer-Shabica ◽  
B Stankus ◽  
A Kirrander ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Gas Phase ◽  
Pump Probe ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

Novelin situsetup to study the formation of nanoparticles in the gas phase by small angle x-ray scattering

2008 ◽  
Vol 79 (4) ◽  
pp. 043905 ◽  
Author(s):  
I. Shyjumon ◽  
M. Rappolt ◽  
B. Sartori ◽  
H. Amenitsch ◽  
P. Laggner
Keyword(s):  
Gas Phase ◽  
Small Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

Distribution of water molecules at Ag(111)/electrolyte interface as studied with surface X-ray scattering

1995 ◽  
Vol 335 ◽  
pp. 326-332 ◽  
Author(s):  
Michael F. Toney ◽  
Jason N. Howard ◽  
Jocelyn Richer ◽  
Gary L. Borges ◽  
Joseph G. Gordon ◽  
...  
Keyword(s):  
Water Molecules ◽  
X Ray ◽  
X Ray Scattering ◽  
Electrolyte Interface ◽  
Ray Scattering
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