环境污染制约社会与经济进步、危害人体健康。清洁生产为从源头控制污染排放、保护环境提供新路径。项目针对目前工业生产苯甲醛、苯甲酸及其衍生物过程中的高污染问题，鉴于我国甲苯的产能过剩，利用亚纳米级贵金属纳米簇材料可以高选择性的断裂甲苯的基元C-H键，并阻止C-H键在氧气气氛下进一步完全氧化为CO2的可能，提出亚纳米级贵金属材料上甲苯选择氧化制备高附加值下游产品，即苯甲醛、苯甲酸及其衍生物的新思路。合成溶液稳定或负载型的亚纳米级贵金属纳米簇催化材料（原子数可调控在2-13个），考察温和条件下材料的甲苯选择氧化过程。探究贵金属纳米簇材料的原子数、组成、电子与结构特性以及表面性能等，分析中间物种、产物的产率与分布情况，结合贵金属纳米簇材料能垒和反应中活化能的理论计算数据，提出亚纳米级贵金属纳米簇催化材料上甲苯选择氧化的微观反应机理。该研究为苯甲醛、苯甲酸及其衍生物的清洁生产提供实验和理论基础。

The pollution problems restrict the development of national economy and social progress, and jeopardize human health. Cleaner production is a new pattern of avoiding the creation of pollutants and protecting environment. At present, there are polluted problems existed in the industrial synthesis of benzaldehyde, benzoic acid and its derivatives.China does have excess capacity in toluene production. The breaking of C-H of toluene can be achieved, and over-oxidation of toluene to CO2 can be avoided in the selective oxidation of toluene by O2 over sub-nano noble metal clusters. Above all, we proposed selective oxidation of toluene to high value-added downstream products, such as benzaldehyde, benzoic acid and its derivatives under mild condition over sub-nano noble metal materials. The sub-nano noble metal clusters stabilized in the solution or immobilized on supports will be synthesized. The atomicity of noble metal clusters range from 2 to 13 numbers. We will investigate the catalytic progress of selective oxidation of toluene over different sub-nano noble metal cluster materials. The characterization of material atomicity, constituents, electronic and geometric structrues, and surface properties will be promoted. We will also analyze the intermedium, and the yield of products, and calculated energy barrier and activation energy in the reaction. The reaction mechanism of selective oxidation of toluene over sub-nano nobel metal clusters will be proposed. This work will show experimental foundation and theoretical value for cleaner production of benzaldehyde, benzoic acid and its derivatives.