A B,N‐codoped carbon material (BNC) was prepared by a simple method and employed as a metal‐free catalyst in the transfer hydrogenation of nitroarenes in aqueous solution. In the preparation of the BNC, boric acid not only functions as the template during the carbonization step but also serves as the source for the B dopant in the final BNC product. Nitrilotriacetic acid (NTA) serves as the carbon and nitrogen source for the system. Characterization of the intermediate materials prepared during the synthesis indicate that the boron nitride (BN) content of the BNC increases at higher calcination temperatures. The final B,N‐codoped carbon material showed excellent catalytic activity and high selectivity in the transfer hydrogenations of nitroarenes under moderate reaction conditions (52.1–100 % yield). Results of control experiments suggest that the BN domain of the BNC is a key factor to its catalytic activity. Density functional theory calculations show that boron atoms facilitate the adsorption and activation of the nitrobenzene and hydrazine molecules. Nitrogen atoms store the active hydrogen atoms that are generated during the catalytic process and transfer them to the nitroarene. This synergistic effect between the B and N dopants in the BN domain of the BNC was used to successfully promote the catalytic transfer hydrogenation of nitroarenes.

中文翻译：

---

硼和氮掺杂剂在催化转移加氢中的协同作用

AB，N掺杂的碳材料（BNC）是通过一种简单的方法制备的，并用作水溶液中硝基芳烃的转移加氢中的无金属催化剂。在BNC的制备中，硼酸不仅在碳化步骤中充当模板，而且在最终BNC产品中充当B掺杂剂的来源。硝基三乙酸（NTA）作为系统的碳源和氮源。合成过程中制备的中间材料的表征表明，BNC的氮化硼（BN）含量在较高的煅烧温度下会增加。最终的B，N掺杂的碳材料在中等反应条件下（52.1–100％的收率）在硝基芳烃的转移加氢中表现出出色的催化活性和高选择性。对照实验结果表明，BNC的BN域是其催化活性的关键因素。密度泛函理论计算表明，硼原子有助于硝基苯和肼分子的吸附和活化。氮原子存储在催化过程中产生的活性氢原子，并将其转移到硝基芳烃中。BNC的BN域中的B和N掺杂剂之间的这种协同作用被用来成功地促进硝基芳烃的催化转移氢化。氮原子存储在催化过程中产生的活性氢原子，并将其转移到硝基芳烃中。BNC的BN域中的B和N掺杂剂之间的这种协同作用被用来成功地促进硝基芳烃的催化转移氢化。氮原子存储在催化过程中产生的活性氢原子，并将其转移到硝基芳烃中。BNC的BN域中的B和N掺杂剂之间的这种协同作用被用来成功地促进硝基芳烃的催化转移氢化。