Catalytic conversion of aromatic olefins into carbonyl compounds is a critical reaction in chemical industries. Herein, we constructed a series of pyrene-alt-dibenzothiophene-S,S-dioxide (P16PySO)/tungsten trioxide (WO₃) composites to investigate the mechanism of photocatalytic styrene oxidation under anaerobic and aerobic conditions. The S-scheme charge transfer pathway within P16PySO/WO₃ was systematically analyzed. Under anaerobic conditions, the optimized P16PySO/WO₃ photocatalyst exhibited a moderate styrene conversion rate with continuous H₂ evolution. Under aerobic conditions, the activity of styrene oxidation was promoted, but H₂ production was dramatically inhibited. The detection of reactive oxygen species and scavenger-assisted photocatalytic experiments revealed that triplet oxygen (³O₂) could efficiently trap the energy of triplet excited P16PySO through an energy transfer process and convert to singlet oxygen (¹O₂). In situ diffuse reflectance infrared Fourier transform spectroscopy and density functional theory indicate that the highly reactive ¹O₂ plays an important role in styrene oxidation to dioxetane intermediates, realizing selective cleavage of styrene.

中文翻译：

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S型光催化剂单线态氧催化苯乙烯制苯甲醛

芳香烯烃催化转化为羰基化合物是化学工业中的关键反应。在此，我们构建了一系列芘-alt-二苯并噻吩-S,S-二氧化物 (P16PySO)/三氧化钨 (WO ₃ ) 复合材料，以研究厌氧和有氧条件下光催化苯乙烯氧化的机理。系统地分析了 P16PySO/WO _{3中的 S 型电荷转移途径。}在厌氧条件下，优化的 P16PySO/WO ₃光催化剂表现出适中的苯乙烯转化率，并持续放出 H ₂。有氧条件下，苯乙烯氧化活性得到促进，但H ₂生产受到极大抑制。活性氧的检测和清除剂辅助光催化实验表明，三线态氧（³ O ₂）可以通过能量转移过程有效地捕获三线态激发的P16PySO 的能量并转化为单线态氧（¹ O ₂）。原位漫反射红外傅立叶变换光谱和密度泛函理论表明，高活性的¹ O ₂在苯乙烯氧化生成二氧杂环丁烷中间体的过程中起着重要作用，实现了苯乙烯的选择性裂解。