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In this work, FT-IR ATR and Raman (laser line 532nm) spectra of 2,2′,4,4′,6-pentabromodiphenyl ether (BDE 100) have been recorded in the range of 4000–650 and 4000–100cm−1, respectively. A combined experimental and theoretical approach (DFT/B3LYP/6-311++g** and aug-cc-pVDZ) was used to study molecular structure of BDE 100. Optimization of geometry in the gas phase at these levels of theory indicated...
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