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Erschienen in:
2003 | OriginalPaper | Buchkapitel
Fourier Techniques in X-ray Structure Determination
verfasst von : Mark Ladd, Rex Palmer
Erschienen in: Structure Determination by X-ray Crystallography
Verlag: Springer US
Enthalten in: Professional Book Archive
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We have reached the stage where we can consider how to attack the solving of a crystal structure. After the earliest trial and error determinations in the 1920s with very simple and highly symmetrical structures, it was found that the application of Fourier series, initially in one dimension, led to the electron density function, in which peaks of density corresponded to atomic positions. As we have seen in the previous chapters, it is necessary to have the phases of the structure factors for this synthesis to be carried out meaningfully. One way in which phase information is obtained is through the Patterson function of vector density, a function of interatomic vectors in the crystal structure.