The rising demand for enhanced catalytic pathways for activation of small molecules has invoked the design and synthesis of metal-free heterogeneous catalysts. Despite the great potential of these catalysts, very few precedents have been reported. Thus, we have prepared two boron doped carbon nitride catalysts with neighboring surface active Lewis acidic (B) and Lewis basic (N) sites and undoped carbon nitride for hydrogenation of styrene under mild conditions. The catalysts have been characterized by transmission electron microscopy (TEM), X-ray photoemission spectroscopy (XPS), X-ray diffraction (XRD) spectroscopy and Fourier transform infrared (FTIR) spectroscopy. Their catalytic mechanism is assessed by computational studies. DFT calculations reveal the favorable interaction of H₂ with adjacent B and N atoms, where relief in the angle strain is the driving force for the reaction.

中文翻译：

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B掺杂石墨氮化碳对金属的无烯烃加氢作用

对增强小分子活化的催化途径的需求不断增长，引发了无金属多相催化剂的设计和合成。尽管这些催化剂具有巨大的潜力，但很少有先例报道。因此，我们制备了两种硼掺杂的氮化碳催化剂，它们具有邻近的表面活性路易斯酸性（B）和路易斯碱性（N）位，以及未掺杂的氮化碳，用于在温和条件下氢化苯乙烯。通过透射电子显微镜（TEM），X射线光发射光谱（XPS），X射线衍射（XRD）光谱和傅里叶变换红外（FTIR）光谱来表征催化剂。通过计算研究评估了它们的催化机理。DFT计算揭示了H ₂的有利相互作用 与相邻的B和N原子相连，其中角应变的释放是反应的驱动力。