Developments of SASS-NMR methods and the spectrometer

1.建立了SASS-核磁共振仪。2.编制了执行SASS-核磁共振的计算机程序、各种系统的控制程序和数据处理程序。还编制了一维和二维粉末图谱的模拟程序用于数据分析。3.利用测试样品成功地进行了SASS-核磁共振。4.发展了3D SASS-核磁共振，用于研究甲酸钙的小振动。5.提出了利用选择性射频辐射和旋转轴切换来分别获得化学上不同核的单独粉末图谱的1D SSSS-NMR技术，与以前的2D方法相比，大大节省了时间。应用一种同时获得对二乙酰基苯中所有C-1化学位移粉末图谱的方法。6.用SASS-核磁共振技术分别获得了客体二茂铁分子、和环糊精-二茂铁笼合物中由于C-13化学位移各向异性而产生的各个粉末图谱。被包裹的二茂铁分子发生了C5旋转。摆动和摆动。

1.A spectrometer for SASS-NMR was built.2.Computer programs for execution of SASS-NMR, control of various systems, and data manipulation were made. A simulation program of 1D and 2D powder patterns were also made for the data analysis.3.SASS-NMR was successfully performed-using a test sample.4.3D SASS-NMR was developed, which was applied to study small vibrations in calcium formate.5.lD SASS-NMR techniques for separately obtaining individual powder patterns for chemically distinct nuclei using selective rf irradiation and switching of the spinner axis were proposed, which considerably save time compared with the previous 2D approaches. A method has been applied for simultaneously obtaining all of the C-1 chemical -shift powder patterns in p-diacetylbenzene.6.The individual powder patterns due to C-13 chemical shift anisotropy in guest ferrocene molecules of , , and cyclodextrin-ferrocene clathrates were separately obtained using SASS-NMR. Enclathrated ferrocene molecules were concluded to undergo C5 rotation. precessio and libration.