On the thermally induced isomerisation of hexabromocyclododecane stereoisomers |
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Authors: | Köppen Robert Becker Roland Jung Christian Nehls Irene |
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Institution: | Department of Analytical Chemistry, Reference Materials, Federal Institute for Materials Research and Testing (BAM), Richard-Willst?tter-Strasse 11, D-12489 Berlin, Germany. |
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Abstract: | The interconversion of the stereoisomers contained in technical 1,2,5,6,9,10-hexabromocyclododecane, a major brominated flame retardant increasingly found in the environment and in biota, was investigated at elevated temperatures. The application of pure enantiomers of the three constituents alpha-, beta-, and gamma-HBCD enabled the unambiguous elucidation of the individual isomerisation reactions as well as the quantification of all respective rate constants. At 160 degrees C the rate constants range over two orders of magnitude from 1.50x10(-3) to 1.88x10(-5)mol(%)s(-1). A preliminary mechanistic explanation for the differences of the rate constants which govern the composition of HBCD diastereomers at equilibrium is given. |
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