Metal free alkene hydrogenation by B-doped graphitic carbon nitride

Abstract

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.