Developments of SASS-NMR methods and the spectrometer

1.建立了SASS-NMR谱仪。编写了SASS-NMR的计算机程序，控制各种系统和数据操作。并编制了一维和二维粉末形貌的仿真程序进行数据分析。使用测试样品成功地进行了SASS-NMR。开发了3d SASS-NMR，用于研究钙形成中的微小振动。提出了利用选择性射频辐照和旋转轴开关分别获得化学不同核的单独粉末模式的lD SASS-NMR技术，与以前的二维方法相比，该技术大大节省了时间。采用了一种同时得到对二乙酰苯中所有C-1化学位移粉末模式的方法。利用SASS-NMR分别获得了二茂铁客体分子中由于C-13化学位移各向异性而形成的粉末模式。包合的二茂铁分子进行了C5旋转。进动和振动。

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.