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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >NMR Crystallography
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NMR Crystallography

机译：NMR晶体学

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Crystallography is the study of the crystalline state of matter. The meaning is contained in the etymology of the word: κρυσταλλoγραΦiα (krustallograpia) arising from κρυσταλλos (krustallos, 'clear ice') and γραΦo (grapo, 'I write'). The modern interpretation of this term is widely construed as 'the study of crystals.' Crystallography since the 'Traite de Crystallographie' of Rene-Just Hauy (Paris, 1822) has been based on a direct space description of crystals. There are many ways to study crystals, for example, by optical, thermal, mechanical or diffraction techniques. The relationship between the crystalline state of matter and its ability to diffract waves of properly matched wavelength has played and will always play a special role in this area of research. Nuclear magnetic resonance (NMR) spectroscopy has, however, from its earliest days, provided structural information on both periodic and amorphous compounds, ranging from specific inter-nuclear distances to complete structural models of complex materials and biomolecules. The term 'NMR Crystallography' presents a broad polysemy. To some, it represents a stand-alone structure elucidation method for single crystal, poly crystalline or amorphous compounds. For others, it is a source of additional structural information when compounds fail to yield crystals of sufficient quality or size suitable for single-crystal diffraction-based structure determination, or when powder diffraction patterns exhibit a too high degree of complexity for structure model elaboration. Some consider NMR, diffraction and modelling as a synergistic complementary set of methods. Others consider that the multiplicity of specific NMR experiments allows for the progressive build-up of topological sub-graphs of the crystal graph, and thus drives the structure model search. These are all established uses of magnetic resonance toward the investigation of the crystalline state.
机译：晶体学是对物质结晶状态的研究。这一含义包含在词的词源：κρώσταλλoγραφiα（krustallograpia）由κρώσταλλos（krustallos，'透明冰'）和γραφo（抓住'i write'）。该术语的现代解释被广泛解释为“晶体的研究”。自Rene-Just Hauy（Paris，1822）的“Traite de Crystallographie”以来的晶体学基于晶体的直接空间描述。有很多方法可以研究晶体，例如，通过光学，热，机械或衍射技术。物质的结晶状态与其衍射适当匹配波长波的能力之间的关系，并将始终在该研究领域发挥特殊作用。然而，核磁共振（NMR）光谱从最早的日期提供了关于周期性和无定形化合物的结构信息，从特定的核距离范围内完成复杂材料和生物分子的完全结构模型。术语“NMR晶体学”呈现出广阔的多义。对于一些，它代表单晶，聚结晶或无定形化合物的单独结构阐明方法。对于其他方式，当化合物不能产生适合于基于单晶衍射的结构测定的足够质量或尺寸的晶体的晶体，或者当粉末衍射图表表现出太高的结构模型阐述时，它是额外的结构信息的源泉。一些考虑NMR，衍射和建模作为协同互补方法。其他人认为，特定NMR实验的多重性允许晶体图的拓扑子图的逐渐积聚，从而驱动结构模型搜索。这些都是朝向晶体状态的研究的磁共振建立的。

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