Acetic acid (AA), a vital compound in chemical production and materials manufacturing, is conventionally synthesized by starting with coal or methane through multiple steps including high‐temperature transformations. Here we present a new synthesis of AA from ethane through photocatalytic selective oxidation of ethane by H2O2 at 0‐25°C. The catalyst designed for this process comprises g‐C3N4 with anchored Pd1 single‐atom sites. In‐situ studies and computational simulation suggest the immobilized Pd1 atom becomes positively charged under photocatalytic condition. Under photoirradiation, the holes on the Pd1 single‐atom of OH‐Pd1Å/g‐C3N4 serves as a catalytic site for activating a C‐H instead of C‐C of C2H6 with a low activation barrier of 0.14 eV, through a concerted mechanism. Remarkably, the selectivity for synthesizing AA reaches 98.7%, achieved under atmospheric pressure of ethane at 0°C. By integrating photocatalysis with thermal catalysis, we introduce a highly selective, environmentally friendly, energy‐efficient synthetic route for AA, starting from ethane, presenting a promising alternative for AA synthesis. This integration of photocatalysis in low‐temperature oxidation demonstrates a new route of selective oxidation of light alkanes.

中文翻译：

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0-25oC 下高选择性光催化合成乙酸


乙酸（AA）是化学生产和材料制造中的重要化合物，传统上是通过以煤或甲烷为原料，经过包括高温转化在内的多个步骤来合成的。在这里，我们提出了一种通过乙烷在 0-25°C 下通过 H2O2 光催化选择性氧化来合成 AA 的新方法。为此过程设计的催化剂包含带有锚定 Pd1 单原子位点的 g-C3N4。原位研究和计算模拟表明固定的 Pd1 原子在光催化条件下变得带正电。在光照射下，OH-Pd1Å/g-C3N4 的 Pd1 单原子上的空穴作为催化位点，通过协调机制以 0.14 eV 的低激活势垒激活 C2H6 的 C-H 而不是 C-C 。值得注意的是，在乙烷常压、0℃下合成AA的选择性达到98.7%。通过将光催化与热催化相结合，我们引入了一种以乙烷为原料的高选择性、环保、节能的 AA 合成路线，为 AA 合成提供了一种有前景的替代方案。这种光催化与低温氧化的结合展示了轻质烷烃选择性氧化的新途径。