TITLE

# Molecular characterization of brominated persistent pollutants using extended X-ray absorption fine structure (EXAFS) spectroscopy

AUTHOR(S)
Bergknut, Magnus; Persson, Per; Skyllberg, Ulf
PUB. DATE
February 2008
SOURCE
Analytical & Bioanalytical Chemistry;Feb2008, Vol. 390 Issue 3, p921
SOURCE TYPE
DOC. TYPE
Article
ABSTRACT
X-ray absorption fine structure (EXAFS) spectroscopy spectra were collected for three brominated persistent pollutants: 6-bromo-2,4,5-trichlorophenol (BrTriClP), pentabromophenol (PentaBrP) and 3,3â€²,5,5â€²-tetrabromobisphenol A (TBBA). The substances were selected to be symmetrical (BrTriClP and TBBA) or asymmetrical (PentaBrP) with respect to the atomic Br positions and to differ in the number of bromine and other halide atoms, as well as their relative positions. The asymmetrical PentaBrP was modelled with special detail as not all bromine atoms have identical coordination environments. The studied substances displayed unique EXAFS spectra, which could be used to determine the molecular structure in fair detail. We conclude that EXAFS spectroscopy is a suitable technique for molecular characterization of the comparatively complex molecules within the class of compounds of brominated organic persistent pollutants. A detailed understanding of the EXAFS spectra of the pure compounds opens up possibilities to study the interactions with soil and sediment matrices by means of EXAFS spectroscopy. [Figure not available: see fulltext.]
ACCESSION #
28404802

## Related Articles

• Local structures of free-standing Al[sub x]Ga[sub 1-x]N thin films studied by extended x-ray... Kin Man Yu; Shan, W.; Glover, C.J.; Ridgway, M.C.; Wong, William S.; Yang, W. // Applied Physics Letters;12/27/1999, Vol. 75 Issue 26, p4097

Reports an extended x-ray absorption fine structure (EXAFS) investigation on aluminum gallium nitride (AlGaN) thin films with AlN mole fraction ranging from 0 to 0.6. Use of laser lift-off technique to separate the sapphire substrate from the alloy thin films; First shell Ga-N bond length;...

• Simple removal method of diffraction peaks in x-ray absorption fine structure spectra from a single crystal in the fluorescence mode. Emura, Shuichi; Maeda, Hironobu // Review of Scientific Instruments;Jan1994, Vol. 65 Issue 1, p25

A simple method has been proposed for the removal of diffraction peaks from x-ray absorption fine structure spectra of a single crystal observed in the fluorescence mode (i.e., excitation spectrum), in which the diffraction peaks inevitably appear. With a patching up of the appropriate spectrum...

• Mercury(II) complex formation with glutathione in alkaline aqueous solution. Mah, Vicky; Jalilehvand, Farideh // Journal of Biological Inorganic Chemistry;Apr2008, Vol. 13 Issue 4, p541

The structure and speciation of the complexes formed between mercury(II) ions and glutathione (GSH = L-glutamyl- L-cysteinyl-glycine) have been studied for a series of alkaline aqueous solutions ( $$C_{{{\text{Hg}}^{{2 + }}}}\,{\sim18\,{\rm{mmol}}\,{\rm{{dm^{-3}}}}}$$ and C GSH = 40â€“200...

• A critical assessment of the QEXAFS method (abstract). Wong, Joe; Froba, Michael; Frahm, R. // Review of Scientific Instruments;Feb1995, Vol. 66 Issue 2, p1517

Presents an abstract of a paper assessing the QEXAFS method of recording an x-ray-absorption spectrum in terms of spectral quality and resolution as a function of various QEXAFS experimental parameters. Utility of the QEXAFS technique as a characterization tool to study the bonding and local...

• Electronic structure, statistical mechanical simulations, and EXAFS spectroscopy of aqueous potassium. Glezakou, Vassiliki-Alexandra; Yongsheng Chen; Fulton, John L.; Schenter, Gregory K.; Dang, Liem X. // Theoretical Chemistry Accounts: Theory, Computation, & Modeling;Mar2006, Vol. 115 Issue 2/3, p86

We investigate the solvation structure of aqueous potassium ions, using a combination of electronic structure calculations, statistical mechanical simulations with a derived polarizable empirical potential and experimental measurement of the extended X-ray absorption fine structure (EXAFS)...

• Characterization of Multiple Pu(IV) Chloride Complexes in Aqueous Solution by Coordinated Visible Absorption, EXAFS and Crystal Structure Studies. Berg, John M.; Conradson, Steven D.; Matonic, John H.; Neu, Mary P.; Reilly, Sean D. // AIP Conference Proceedings;2003, Vol. 673 Issue 1, p236

Characterizes multiple plutonium chloride complexes in aqueous solution. Performance of coordinated visible absorption, extended x-ray absorption fine structure and crystal structure analysis; Determination of the formation constants of complexes with higher coordinated complexion numbers;...

• X-ray absorption and photoemission spectroscopy of zinc protoporphyrin adsorbed on rutile TiO2(110) prepared by in situ electrospray deposition. Rienzo, Anna; Mayor, Louise C.; Magnano, Graziano; Satterley, Christopher J.; Ataman, Evren; Schnadt, Joachim; Schulte, Karina; O'Shea, James N. // Journal of Chemical Physics;Feb2010, Vol. 132 Issue 8, p084703

Zinc-protoporphyrin, adsorbed on the rutile TiO2(110) surface, has been studied using photoemission spectroscopy and near-edge absorption fine structure spectroscopy to deduce the nature of the molecule-surface bonding and the chemical environment of the central metal atom. To overcome the...

• Use of the variational principle with the aim of determining oscillations in the extended X-ray absorption fine structure. Sharkov, M. D.; Pogrebitskiĭ, K. Yu.; Konnikov, S. G. // Technical Physics;Aug2007, Vol. 52 Issue 8, p1089

A method of determining the smooth and oscillating components of extended X-ray absorption fine structure spectra is developed. The form of a functional that is minimized by the desired smooth function is suggested, and a series of EXAFS spectra is analyzed. A way of solution optimization is...

• A direct comparison of surface and bulk chain-relaxation in polystyrene. Wen-li Wu; Sambasivan, Sharadha; Chia-Ying Wang; Wallace, W. E.; Genzer, J.; Fischer, D. A. // European Physical Journal E -- Soft Matter;Sep2003, Vol. 12 Issue 1, p127

Near-edge X-ray absorption fine-structure (NEXAFS) spectroscopy was used to measure simultaneously the relaxation rates of polystyrene (PS) molecules at the free surface and in the bulk. The samples were uniaxially stretched and annealed at temperatures below the bulk glass transition...

Share