Extended X-ray Absorption Fine Structure (EXAFS) Analysis of Disorder and Multiple-Scattering in Complex Crystalline Solids

1994 ◽  
Vol 116 (7) ◽  
pp. 2938-2949 ◽  
Author(s):  
P. A. O'Day ◽  
J. J. Rehr ◽  
S. I. Zabinsky ◽  
G. E. Jr. Brown
Keyword(s):  
Fine Structure ◽  
Multiple Scattering ◽  
Crystalline Solids ◽  
X Ray ◽  
Exafs Analysis ◽  
Absorption Fine ◽  
X Ray Absorption

Extended X-ray absorption fine structure and multiple-scattering simulation of nickel dithiolene complexes Ni[S2C2(CF3)2]2n(n= −2, −1, 0) and an olefin adduct Ni[S2C2(CF3)2]2(1-hexene)

2015 ◽  
Vol 22 (1) ◽  
pp. 124-129 ◽  
Author(s):  
Weiwei Gu ◽  
Hongxin Wang ◽  
Kun Wang
Keyword(s):  
Fine Structure ◽  
Multiple Scattering ◽  
Edge Structure ◽  
X Ray ◽  
Absorption Fine ◽  
Square Planar ◽  
Square Planar Complexes ◽  
Uv Visible ◽  
Edge Features ◽  
X Ray Absorption

A series of Ni dithiolene complexes Ni[S2C2(CF3)]2n(n= −2, −1, 0) (1,2,3) and a 1-hexene adduct Ni[S2C2(CF3)2]2(C6H12) (4) have been examined by NiK-edge X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine-structure (EXAFS) spectroscopies. Ni XANES for1–3reveals clear pre-edge features and approximately +0.7 eV shift in the NiK-edge position for `one-electron' oxidation. EXAFS simulation shows that the Ni—S bond distances for1,2and3(2.11–2.16 Å) are within the typical values for square planar complexes and decrease by ∼0.022 Å for each `one-electron' oxidation. The changes in NiK-edge energy positions and Ni—S distances are consistent with the `non-innocent' character of the dithiolene ligand. The Ni—C interactions at ∼3.0 Å are analyzed and the multiple-scattering parameters are also determined, leading to a better simulation for the overall EXAFS spectra. The 1-hexene adduct4presents no pre-edge feature, and its NiK-edge position shifts by −0.8 eV in comparison with its starting dithiolene complex3. Consistently, EXAFS also showed that the Ni—S distances in4elongate by ∼0.046 Å in comparison with3. The evidence confirms that the neutral complex is `reduced' upon addition of olefin, presumably by olefin donating the π-electron density to the LUMO of3as suggested by UV/visible spectroscopy in the literature.

Multiple-Scattering of Near-Edge x-ray Absorption Fine Structure of Sulphur-Passivated InP(100) Surface

2003 ◽  
Vol 20 (7) ◽  
pp. 1151-1154 ◽  
Author(s):  
Cao Song ◽  
Tang Jing-Chang ◽  
Shen Shao-Lai ◽  
Chen Geng-Sheng ◽  
Ma Dan
Keyword(s):  
Fine Structure ◽  
Multiple Scattering ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

Determination of the Structures of Antiinflammatory Copper(II) Dimers of Indomethacin by Multiple-Scattering Analyses of X-ray Absorption Fine Structure Data

2001 ◽  
Vol 40 (6) ◽  
pp. 1295-1302 ◽  
Author(s):  
Jane E. Weder ◽  
Trevor W. Hambley ◽  
Brendan J. Kennedy ◽  
Peter A. Lay ◽  
Garry J. Foran ◽  
...  
Keyword(s):  
Fine Structure ◽  
Multiple Scattering ◽  
Structure Data ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption
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