Singlet oxygen (1O2) is an essential reactive species responsible for selective oxidation of organic matter, especially in Fenton-like processes. However, due to the great limitations in synthesizing catalysts with well-defined active sites, the controllable production and practical application of 1O2 remain challenging. Herein, guided by theoretical simulations, a series of boron nitride-based single-atom catalysts (BvBN/M, M = Co, Fe, Cu, Ni and Mn) were synthesized to regulate 1O2 generation by activating peroxymonosulfate (PMS). All the fabricated BvBN/M catalysts with explicit M-N3 sites promoted the self-decomposition of the two PMS molecules to generate 1O2 with high selectivity, where BvBN/Co possessed moderate adsorption energy and d-band center exhibited superior catalytic activity. As an outcome, the BvBN/Co-PMS system coupled with membrane filtration technology could continuously transform aromatic alcohols to aldehydes with nearly 100% selectivity and conversion rate under mild conditions, suggesting the potential of this novel catalytic system for green organic synthesis.

中文翻译：

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氮化硼上的 M-N3 配置通过过一硫酸盐活化选择性氧化促进单线态氧生成

单线态氧 (1O2) 是一种重要的活性物质，负责有机物的选择性氧化，尤其是在类芬顿过程中。然而，由于合成具有明确活性位点的催化剂存在很大限制，1O2的可控生产和实际应用仍然具有挑战性。本文以理论模拟为指导，合成了一系列氮化硼基单原子催化剂（BvBN/M，M = Co、Fe、Cu、Ni 和 Mn），通过激活过一硫酸盐（PMS）来调节 1O2 的生成。所有制备的具有明确M-N3位点的BvBN/M催化剂都促进了两个PMS分子的自分解，以高选择性生成1O2，其中BvBN/Co具有适中的吸附能和d带中心表现出优异的催化活性。结果，BvBN/Co-PMS系统与膜过滤技术相结合，可以在温和条件下以近100%的选择性和转化率连续将芳香醇转化为醛，表明这种新型催化系统在绿色有机合成方面的潜力。