多相催化剂活性位高效表征的固体NMR极化转移增强技术

On the basis of the national demand for carbon energy conversion and utilization, this project focuses on the investigation of important scientific issues of structure-property relationship, and aims to efficient solid-state NMR characterizations of active sites in heterogeneous catalysis. The new solid-state NMR techniques will be developed via polarization-transfer enhancement strategies combining with the advanced NMR devices. The objective of this project is to establish a set of one-dimensional and two-dimensional solid-state NMR methods, including high-resolution heteronuclear correlation experiments involving quadrupolar nuclei, proton detected methods via polarization transfer enhancement, dynamic nuclear polarization (DNP) enhanced magic-angle-spinning (MAS) NMR techniques and so on, which will be implemented to reveal the structure and the synergic effect of active sites, and explore the host-guest interactions between active centers and carrier or reactants.

基于碳基能源转化利用这一项重要国家需求，本项目以多相催化剂构效关系重要科学问题为牵引，拟围绕多相催化剂活性位的固体NMR高效表征这一目标，发展或开发固体NMR极化转移增强的实验新方法和表征新技术。结合当前NMR谱仪设备的最新发展，有针对性建立用于催化剂活性位结构、活性位间协同效应观测以及活性中心与载体或反应物间相互作用探测的一维和二维固体NMR谱学表征分析方法，预期在四极核高分辨异核相关技术、氢检测高效极化转移增强方法、动态核极化（DNP）超极化增强魔角旋转（MAS）NMR实验的建立等方面取得进展。

基于碳基能源转化利用这一项重要国家需求，本项目以多相催化剂构-效关系重要科学问题为牵引，围绕多相催化剂活性位的固体NMR高效表征这一目标，发展或开发固体NMR极化转移增强的一维/二维实验新方法和表征新技术，包括：成功建立了用于催化剂表面活性物种高效观测的动态核极化实验技术；实现超高磁场下基于核间极化转移的17O核同核/异核二维相关固体MAS NMR方法；发展了高转速下氢检测的极化转移增强技术；提出了基于中心跃迁极化增强的半整数四极核观测方法；同时利用自主开发的固体NMR实验方法成功开展了γ-Al2O3表面氧物种结构的研究，以及沸石分子筛骨架Lewis酸位的研究，为深入开展多相催化应用研究提供了有力的表征手段。