Quantitative 1H NMR-analysis of technical octabrominated diphenylether DE-79™ and UV spectra of its components and photolytic transformation products

• Published in: Chemosphere (Oxford) Vol. 73; no. 1; pp. S44 - S52
• Main Authors: Geller, Ana-Maria, Krüger, Heinz-Ulrich, Liu, Qing, Zetzsch, Cornelius, Elend, Manfred, Preiss, Alfred
• Format: Journal Article Conference Proceeding
• Language: English
• Published: Kidlington Elsevier Ltd 01-08-2008; Elsevier
• Subjects: Analytical chemistry; Applied sciences; BDF; Chemistry; Chromatographic methods and physical methods associated with chromatography; Chromatography, High Pressure Liquid; DE-71; DE-79; Electrodes; Exact sciences and technology; Global environmental pollution; Halogenated Diphenyl Ethers; HPLC; Magnetic Resonance Spectroscopy; NMR; Other chromatographic methods; Phenyl Ethers - analysis; Phenyl Ethers - chemistry; Phenyl Ethers - isolation & purification; Photolysis; Pollution; Polybrominated Biphenyls - analysis; Polybrominated Biphenyls - chemistry; Polybrominated Biphenyls - isolation & purification; Spectrophotometry, Ultraviolet; DE-79; DE-71; NMR; Photolysis; BDF; HPLC; Chemical analysis; Ether; Pollutant behavior; Multicomponent mixture; HPLC chromatography; Flame retardant; Organic bromine compounds; Chemical product; Persistent organic pollutant; Ultraviolet detector; Diode array; Aromatic compound; Degradation product; Organic compounds; Quantitative analysis; Photochemical degradation
• ISSN: 0045-6535; 1879-1298
• DOI: 10.1016/j.chemosphere.2007.02.070

A quantitative analysis of the technical octabromo diphenylether mixture DE-79™ is performed by
1H NMR, avoiding any separation technique. The mass fractions are 36% BDE183, 19% BDE197, 13.1% BDE207, 9.1% BDE196, 7.3% BDE153, 6.2% BDE203, 2.2% BDE180, 1.6% BDE171, 1.2% BDE154 and 0.7% BDE206, considering an additional mass fraction of 1.3% BDE209 determined by HPLC analysis with a diode array detector (DAD). HPLC chromatograms of the BDEs in commercial decaBDE, octaBDE DE-79™ and pentaBDE DE-71™ and UV spectra of the components of DE-79™ are presented. The photolysis of the octaBDE mixture DE-79™, dissolved in tetrahydrofuran, by simulated sunlight is monitored by HPLC-DAD and observed to proceed mainly via debromination. Polybrominated dibenzofurans are identified from their UV spectra as significant intermediates.