研究领域

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Inorganic Chemistry

X-ray crystallography is one of the most powerful methods to determine the molecular structures of crystalline materials in the solid state. The amplitudes of X-rays diffracted by the crystal are measure very precisely on diffractometers equipped with liquid nitrogen cryostat for cooling the crystals to 100 K during data collection and their probable phases are calculated mathematically. Further calculations then lead to a complete picture of the molecule. From the X-ray diffraction data, the positions of individual atoms, the distances between atoms, bond angles, molecular conformations and absolute configurations are determined with high precision. The data also provide intermolecular, intramolecular and packing interactions between molecules in the solid state. The fractional coordinates of molecules can be used for molecular modeling and drug design in the discovery of new drugs.