In-situ neutron scattering study of directed deoxygenation of lignin at TOSCA

Lignin can replace fossil energy through hydrodeoxygenation reactions to produce light aromatic hydrocarbons. However, the reaction still needs fixing, such as unclear catalyst active sites and unclear binding mode of critical intermediates and catalysts. To solve the above issues, we intend to use guaiacol and phenol as model compounds and composite metal oxides as catalysts through In-situ inelastic neutron scattering technology to obtain neutron spectroscopy data of key active sites and intermediates, reveal the binding and dissociation mechanism of C-O bonds and active sites of the catalyst, then clarify the microscopic mechanism of directed deoxygenation of lignin.

木质素（Lignin）可通过加氢脱氧反应替代化石能源，制备轻质芳烃。但该反应仍存在诸多亟待解决的问题：催化剂活性位点尚不明确，关键中间体与催化剂的结合模式也尚未清晰。为解决上述问题，本研究拟采用愈创木酚（guaiacol）与苯酚（phenol）作为模型化合物，以复合金属氧化物作为催化剂，借助原位非弹性中子散射（In-situ inelastic neutron scattering）技术获取关键活性位点与中间体的中子光谱数据，揭示碳氧键与催化剂活性位点的结合与解离机制，进而阐明木质素定向脱氧的微观反应机理。