Baseline isotopic data of polyhalogenated compounds

The delta H-2- and delta C-13-values of polyhalogenated compounds were determined by EA-1RMS. Most of the compounds were related to the chloropesticides DDT and its metabolites, hexachlorocyclohexanes, and toxaphene, as well as several polybrominated compounds such as bromophenols and -anisoles. delta H-2-values ranged between -235 parts per thousand and +75 parts per thousand whereas delta C-13-values were found in the range -22 parts per thousand to -38 parts per thousand. No correlation between delta H-2- and delta C-13-values could be identified. Comparative analysis clarified that bromophenols and the corresponding bromoanisoles may vary in their isotopic distribution. H-2 NMR was used to quantify abundances of H-2 isotopomers. Quantification of isotopomers of 2,4-dibromophenol and 2,4-dibromoanisole proved that both compounds from different suppliers do not originate from the same source. Differences in the delta H-2-values of two toxaphene products were further investigated by the synthesis of products of different degree of chlorination from camphene. It was shown that the delta C-13-values remained mostly unaltered as was expected since no carbon is lost in this procedure. However, the reaction products became enriched in H-2 with increasing degree of chlorination. Different delta H-2-values of the starting material will also impact the delta H-2-values of the chlorination products. (c) 2006 Elsevier B.V. All rights reserved.