稳态强磁场下固体磁共振谱学方法及在多相催化中的应用研究

本项目基于稳态强磁场开展固体核磁共振谱学方法与技术开发与应用研究。针对核自旋在强磁场下所展现的新的核磁共振现象，发展高灵敏、高分辨的固体NMR方法与技术。主要发展低灵敏度核的多量子以及双量子固体NMR方法，实现强磁场下的高分辨观测；探索强磁场下宽带激发与宽带重耦脉冲方法，建立一维和二维宽带观测的NMR实验方法；开发强磁场下频率临近核的双共振固体NMR实验方法，发展异核核间距测量双共振NMR实验技术；开发强磁场下仲氢超极化灵敏度增强技术，发展异核极化转移方法，实现对天然丰度原子核以及分子动态观测与结构分析。开展一些重要分子筛催化剂及相关反应的NMR应用研究，表征催化剂活性中心结构、主客体相互作用以及催化反应机理，为高性能催化剂的设计及新反应路线的研发提供指导。项目最终目的是建立一套先进的强磁场固体NMR谱学研究手段，提升强磁场固体NMR在物理、材料及化学等交叉科学领域的应用水平。

Based on the ultrahigh magnetic field, this project focuses on the development of solid state NMR method and technique as well as the applications. Regarding the new NMR phenomenon of the nuclei exhibited at ultrahigh magnetic field, high sensitivity and resolution solid state NMR method and technique will be developed. For the low sensitivity nuclei, MQMAS and DQ-SQ methods will be developed to achieve high resolution observation at ultrahigh magnetic field. New broad-band irradiation and recoupling pulse sequences will be designed to set up 1 and 2 dimensional broad-band observation NMR experiment methods. Double-resonance NMR method for the nuclei with close frequency and technique to measure the hetero-nuclear distance is to be developed. The parahydrogen induced polarization (PHIP) enhancement technique will be set up at ultrahigh magnetic field. New polarization transfer method will be developed to achieve the observation and analysis of nuclei at natural abundance and the molecule in a dynamic process. The methods and techniques will be applied in the study of some important zeolite catalysts and catalysis, to characterize the active sites, host-gest interactions and reaction mechanisms. The new insight obtained will provide guide for the design of new catalyst and catalytic process. The ultimate goal of the project is to establish advanced ultrahigh magnetic field solid state NMR methodology and strategy, reinforcing the capability of solid state NMR in the interdisciplinary research in physics, material science and chemistry.