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Photodeoxygenation of dibenzothiophene S‐oxide (DBTO) has been suggested as a clean way to generate atomic oxygen in solution. Sulfoxide bond dissociation enthalpies (BDEs) are important to the quantum yield and mechanism of this photodeoxygenation. In this study, BDE of substituted DBTO molecules with various functional groups were determined using M062X/aug‐cc‐pV(T + d)Z and MP2/aug‐cc‐pV(T + d)Z...
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