Molecular structure and dynamics in solids

这项研究将利用核磁共振光谱、衍射技术和量子化学计算，研究分子固体的电子、分子和晶体结构，以及分子在这些固体中的运动。分子和电子结构最终决定了我们周围许多物质的性质。我们使用核磁共振光谱来探测电子和分子结构。我们通过NMR光谱测量的参数对结构敏感，可用于获得有关分子的信息。固体核磁共振波谱的优点是它提供了三维信息，因为分子被固定在晶格内的一个位置，而不像气体或液体状态那样快速翻滚。我们的第二个目标是研究分子和部分分子在固体状态下的运动。除了获得有关分子结构的额外信息外，这些研究还将提供有关固体中分子结合在一起的强度的信息。

The proposed research will involve the use of Nuclear Magnet Resonance (NMR) spectroscopy together with diffraction techniques and quantum chemical calculations to investigate the electronic, molecular and crystalline structures of molecular solids and the motions of molecules within these solids.Molecular and electronic structure ultimately determine the properties of many of the substances that surround us. We use NMR spectroscopy to probe electronic and molecular structure. The parameters that we measure by NMR spectroscopy are sensitive to structure and can be used to obtain information about the molecule. The advantage of solid state NMR spectroscopy is that it provides three dimensional information since the molecules are held in one position inside the crystal lattice, not tumbling rapidly as in the gas or liquid states.Our second goal is to study the motions of molecules and parts of molecules in the solid state. Aside from obtaining additional information about molecular structure, these studies will also provide information on how strongly the molecules in solids are held together.