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 3,3',5,5'-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.

Keywords

EXAFS; brominated; organohalogens; molecular structure; TBBA; BFR

Published in

Analytical and Bioanalytical Chemistry
2008, Volume: 390, number: 3, pages: 921-928
Publisher: SPRINGER HEIDELBERG

SLU Authors

• Skyllberg, Ulf

  • Department of Forest Ecology and Management, Swedish University of Agricultural Sciences
    

UKÄ Subject classification

Environmental Sciences related to Agriculture and Land-use


Publication identifier

DOI: https://doi.org/10.1007/s00216-007-1721-1

Permanent link to this page (URI)

https://res.slu.se/id/publ/19396