芳香化合物的电化学氯化反应区域选择性机制及调控方法研究

Electrochemical chlorination reaction, which does not directly use chlorine gas as chlorinating agent, is a new method to synthetize organic chlorides. The electrochemical chlorination has many advantages, including mild reaction conditions, higher reaction selectivity and higher yields, and so on. It avoids environmental pollution and potential safety issues arising from the direct use of chlorine. The regional selectivity of electrochemical chlorination reaction on aromatic compounds is obviously better than chemical chlorination reaction, so in this project, disclosed the mechanism of regional selectivity on electrochemical chlorination of aromatic compounds is a focus issue. The influence of the factors including material and its surface structure of electrode on the electrochemical chlorination reaction is investigated by electrochemical method, at the same time, transport and diffusion mechanisms of materials on the electrode surface during the electrochemical reaction process are researched . By confirming chlorination reaction process on the electrode surface , the mechanism of regional selectivity and control methods for electrochemical chlorination of aromatic compounds are obtained . The aims of research are to: clarify the regional selectivity of electrochemical chlorination reaction on aromatic compounds on both the macro and micro levels and build relationships of electrochemical parameters and regional selectivity so as to provide the theoretical guidance to choose the industrial production conditions of chlorinated aromatic compounds; clarify the effect of the materials and surface structure of electrodes and electrolytic cell on the regional selectivity of chlorination reactions of aromatic compounds in order to provide theoretical support for electrochemical reactor design to produce chlorinated aromatic compounds.

电化学氯化反应是一种环境友好的合成有机氯化物的方法。该方法具有合成工艺简单，反应条件温和、反应选择性好、收率高等优点，避免了直接使用氯气所引起的环境污染和潜在的安全问题。 芳香化合物电化学氯化反应的区域选择性明显优于化学氯化法，揭示电化学氯化反应区域选择性机制是促进该方法得到广泛应用和发展的关键问题。本项目拟采用电化学方法，通过建立电化学氯化反应模型，改变电极材料、电极表面结构、控制电解氯化过程中物质的输运及扩散过程，探寻电化学参数与区域选择性的对应关系， 揭示芳香化合物电化学氯化反应的区域选择性机制，进而实现氯化区域可控性，为电化学法制备氯代芳香化合物提供理论指导; 阐明电极材料、电极表面结构及电解槽结构对氯化反应区域选择性的影响，为用于氯代芳香化合物制备的电化学反应器工业化设计提供理论支撑，以促进电化学氯化反应普适性地应用于芳香族氯化物的制备。

电化学氯化反应是一种环境友好的合成有机氯化物的方法。该方法具有合成工艺简单，反应条件温和、反应选择性好、收率高等优点，避免了直接使用氯气所引起的环境污染和潜在的安全问题。本项目采用电化学方法，通过建立电化学氯化反应模型，改变电极材料、电极表面结构、控制电解氯化过程中物质的输运及扩散过程，确定出电化学参数与反应选择性的对应关系，揭示芳香化合物电化学氯化反应的区域选择性机制，进而实现了电化学氯化区域可调控性，为电化学法制备氯代芳香化合物提供实际指导; 阐明了电极材料、电极表面结构及电解槽结构对氯化反应的影响，设计出电解装置与外反应器联动装置，为用于氯代芳香化合物制备的电化学反应器工业化设计提供理论支撑，并通过对苯环类芳香化合及杂环类芳香化物的电化学氯化反应研究，验证了该方法可以普适性地应用于芳香族氯化物的制备，同时深入的研究结果也表明，本项目设计的电极材料及电解池结构，以及确立的模型参数，也适用于饱和烷烃的电化学氯化、有机化合物的电化学溴化以及碳素材料的电化学氟化反应，为促进电化学卤化反应的普适性研究奠定坚实基础。

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