Near-edge X-ray absorption fine-structure spectra

Urquhart, S. G., and Ade, H. (2002). Trends in the carbonyl core (C IS, O IS) —> pi C=0 transition in the near-edge X-ray absorption fine structure spectra of organic molecules. 

Urquhart S, Ade H, Rafailovich M, Sokolov JS, Zhang Y (2000) Chemical and vibronic effects in the high-resolution near-edge X-ray absorption fine structure spectra of polystyrene isotopomers. Chem Phys Lett 322 412-418... 

Urquhart SG, Ade HW (2002) Trends in the carbonyl core (C Is, Is) to n transition in the near edge X-ray absorption fine structure spectra of organic molecules. JPhys Chem 106 8531-8538 Vairavamurthy A, Manowitz B, Zhou W, Jeon Y (1994) Determination of hydrogen sulfide oxidation products by sulfur -edge X-ray absorption near edge structure spectroscopy. In Environmental Geochemistry of Sulfide Oxidation. Alpers CN, Blowes DW (eds) Am Chem Soc Symp Series, Vol 550, Am Chem Soc, Washington, DC, p 412-430... 

Francesco RD, Stener M, Fronzoni G (2012) Theoretical study of near-edge X-ray absorption fine structure spectra of metal phthalocyanines at C andN K-edges. J Phys Chem A 116 2285-22894... 

Near-Edge X-Ray Absorption Fine-Structure Spectra... 

Lithium intercalation in VeOis has been studied by Stallworth et al. ° Variable-temperature Li NMR indicated considerable mobility for Li+ in the intercalated materials. The Li NMR data were compared with ESR spectra and near-edge X-ray absorption fine structure (NEXAFS) data on the same materials, and a correlation between vanadium oxidation state (from NEXAFS data) and NMR shift was observed. The authors explained the shifts in terms of different coupling mechanisms between the and shifts. The shifts were, however, extracted from static NMR experiments, and it is possible that some of the different local environments, typically revealed in a MAS spectrum, were not seen in this study. 

Electrons ejected after the core ionization can be measured either selectively by their energy as Auger electrons or unselected as the so-called total electron yield. Due to the small free path that electrons have in condensed matter, these electrons stem from a thin layer of the surface of the sample. Under these conditions, XAS becomes a surface-sensitive probe [41] known as SEXAFS (Surface EXAFS) and NEXAFS (Near Edge X-ray Absorption Fine Structure with the same meaning as XANES,but applied exclusively to near-edge spectra detected using surface-sensitive measurements). These methods have become very important... 

Figure 9.12 C K-edge from near-edge X-ray absorption fine structure (NEXAFS) plots of CO (3 L) dosed to hydroxylated CeOj, 5/Au(l 11) at 100 K. Both the normal incidence (0°) angle and the grazing incidence (65°) spectra are shown in the figure. Copyright 2010 Elsevier.

By combining the near-edge X-ray absorption fine structure (NEXAFS) technique and first principles calculations, Kunisu etal. [143]first studied thelocal environment of Mn dopant in ZnO. In polycrystalline bulk ZnO NEXAFS at Mn K-edge was found to remain in the same shape as shown in Figure 5.23 up to 5%. The experimental spectra is reproduced well by first principles calculations of (Zn,Mn)0 sohd solution, which confirmed that Mn substituted at the Zn sites. For Mn concentration higher than 5%, Mn304 precipitates started to appear. 

Linares M, Stafstrom S, Rinkevicius Z, Agren H, Norman P. Complex Polarization Propagator Approach in the Restricted Open-Shell, Self-Consistent Field Approximation The Near K-Edge X-ray Absorption Fine Structure Spectra of Allyl and Copper Phthalocyanine. J Phys Chem B. 2010 115 5096-5102. 

X-Rav Absorption Fine Structure. X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure spectra (EXAFS) were obtained for a series of Sn/Pt on alumina or silica samples (45,46). The data suggest the possibility of Pt/Sn alloy formation, but do not provide conclusive proof for this. 

Extended X-ray absorption fine structure (EXAFS) spectrum Part of an X-ray absorption spectrum that is used to identify the coordination of atoms, estimate bond lengths, and determine the adsorption complexes on the surfaces of adsorbents. EXAFS spectra may provide useful information on the speciation (valence state), surface complexes, and the coordination of arsenic on adsorbents (e.g. (Randall, Sherman and Ragnarsdottir, 2001 Ladeira, et al. (2001) Teixeira and Ciminelli (2005) Kober, et al. (2005)) (compare with X-ray absorption spectroscopy (XAS), X-ray absorption near edge structure (XANES) spectra, and X-ray absorption fine structure spectroscopy (XAFS)). 

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